
 BDBM31035

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.2387    4.8992    5.1693 C   0  0  0  0  0
    5.6884    4.5401    4.8981 C   0  0  0  0  0
    5.8492    4.0946    3.5404 O   0  0  0  0  0
    5.5843    2.7732    3.3233 C   0  0  0  0  0
    5.2753    1.9787    4.1991 O   0  0  0  0  0
    5.7666    2.4325    1.8638 C   0  0  0  0  0
    4.8492    3.2756    0.9785 C   0  0  0  0  0
    4.8308    2.7681   -0.3683 N   0  0  0  0  0
    4.8135    1.4363   -0.6441 C   0  0  0  0  0
    4.5078    1.0768   -1.7769 O   0  0  0  0  0
    5.1695    0.5668    0.3421 N   0  0  0  0  0
    5.6188    0.9759    1.4870 C   0  0  0  0  0
    6.1070   -0.0914    2.4395 C   0  0  0  0  0
    3.4221    3.5331    1.4410 C   0  0  0  0  0
    2.6361    2.5687    2.0844 C   0  0  0  0  0
    1.3350    2.8567    2.5330 C   0  0  0  0  0
    0.7913    4.1330    2.3233 C   0  0  0  0  0
    1.5607    5.0921    1.6547 C   0  0  0  0  0
    2.8526    4.7934    1.2120 C   0  0  0  0  0
   -0.4314    4.4305    2.8628 O   0  0  0  0  0
   -1.2313    5.3630    2.1466 C   0  0  0  0  0
   -2.6381    5.4615    2.7544 C   0  0  0  0  0
   -2.8482    5.2402    3.9429 O   0  0  0  0  0
   -3.5877    5.8468    1.8153 N   0  0  0  0  0
   -4.9628    6.0816    2.0290 C   0  0  0  0  0
   -5.5844    6.0243    3.2773 C   0  0  0  0  0
   -6.9557    6.2749    3.3988 C   0  0  0  0  0
   -7.7165    6.5843    2.2741 C   0  0  0  0  0
   -7.1066    6.6466    1.0249 C   0  0  0  0  0
   -5.7367    6.3987    0.9039 C   0  0  0  0  0
    0.7577    1.8006    3.1893 O   0  0  0  0  0
   -0.6619    1.7320    3.2010 C   0  0  0  0  0
    4.1142    5.2558    6.1958 H   0  0  0  0  0
    3.5813    4.0374    5.0178 H   0  0  0  0  0
    3.9021    5.6815    4.4814 H   0  0  0  0  0
    6.0544    3.7887    5.6074 H   0  0  0  0  0
    6.3171    5.4279    5.0205 H   0  0  0  0  0
    6.8150    2.6603    1.6198 H   0  0  0  0  0
    5.3290    4.2613    0.8957 H   0  0  0  0  0
    4.4467    3.3283   -1.1174 H   0  0  0  0  0
    6.3683   -0.9993    1.8875 H   0  0  0  0  0
    5.3171   -0.3348    3.1541 H   0  0  0  0  0
    6.9979    0.2561    2.9696 H   0  0  0  0  0
    3.0169    1.5651    2.2650 H   0  0  0  0  0
    1.2011    6.1040    1.5001 H   0  0  0  0  0
    3.4223    5.5730    0.7087 H   0  0  0  0  0
   -1.3111    5.0523    1.0978 H   0  0  0  0  0
   -0.8066    6.3709    2.2130 H   0  0  0  0  0
   -3.2769    5.9436    0.8574 H   0  0  0  0  0
   -5.0325    5.7906    4.1824 H   0  0  0  0  0
   -7.4262    6.2266    4.3778 H   0  0  0  0  0
   -8.7818    6.7757    2.3731 H   0  0  0  0  0
   -7.6964    6.8866    0.1441 H   0  0  0  0  0
   -5.2889    6.4531   -0.0847 H   0  0  0  0  0
   -0.9382    0.7066    3.4667 H   0  0  0  0  0
   -1.0882    1.9405    2.2139 H   0  0  0  0  0
   -1.0799    2.3871    3.9704 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 28  2  0  0  0
 27 51  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 54  1  0  0  0
 31 32  1  0  0  0
 32 55  1  0  0  0
 32 56  1  0  0  0
 32 57  1  0  0  0
M  END

>  <Chemical Name>
BDBM31035

>  <PubChem CID>
91896121

>  <Formula>
C23H25N3O6

>  <Molecular Weight>
439.468000

>  <IUPAC Name>
ethyl 6-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1C(NC(=O)N=C1C)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC

>  <Isomeric SMILES>
CCOC(=O)C1C(NC(=O)N=C1C)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C23H25N3O6/c1-4-31-22(28)20-14(2)24-23(29)26-21(20)15-10-11-17(18(12-15)30-3)32-13-19(27)25-16-8-6-5-7-9-16/h5-12,20-21H,4,13H2,1-3H3,(H,25,27)(H,26,29)

>  <InChI Key>
FUDKKBFANBSPIG-UHFFFAOYSA-N

