
 SMR000016661

 38 41  0  0  0  0  0  0  0  0999 V2000
   -1.2566   -1.4266   -0.4053 C   0  0  0  0  0
   -2.4343   -0.5001   -0.0644 C   0  0  0  0  0
   -1.9267    0.8855   -0.0632 N   0  0  0  0  0
   -0.5350    0.7446    0.1863 C   0  0  0  0  0
    0.3779    1.7087    0.5861 C   0  0  0  0  0
    1.7137    1.3389    0.7868 C   0  0  0  0  0
    2.1289    0.0144    0.5912 C   0  0  0  0  0
    1.2129   -0.9605    0.2012 C   0  0  0  0  0
   -0.1070   -0.5790    0.0183 C   0  0  0  0  0
   -2.6917    2.0370    0.0038 C   0  0  0  0  0
   -3.9339    2.0559    0.4962 C   0  0  0  0  0
   -4.7155    3.3045    0.5755 C   0  0  0  0  0
   -5.7753    3.2237    1.1974 O   0  0  0  0  0
   -4.1649    4.4442   -0.0071 N   0  0  0  0  0
   -2.8888    4.4023   -0.5721 C   0  0  0  0  0
   -2.3158    5.3126   -1.1731 O   0  0  0  0  0
   -2.2210    3.2116   -0.4938 N   0  0  0  0  0
   -4.9222    5.6836   -0.0154 C   0  0  0  0  0
   -6.3296    5.6867   -0.0060 C   0  0  0  0  0
   -7.0656    6.8785   -0.0068 C   0  0  0  0  0
   -6.4111    8.1032   -0.0241 C   0  0  0  0  0
   -5.0224    8.1337   -0.0390 C   0  0  0  0  0
   -4.2896    6.9393   -0.0324 C   0  0  0  0  0
   -1.3180   -2.3707    0.1431 H   0  0  0  0  0
   -1.2047   -1.6203   -1.4818 H   0  0  0  0  0
   -2.8254   -0.7474    0.9319 H   0  0  0  0  0
   -3.2476   -0.6314   -0.7878 H   0  0  0  0  0
    0.0815    2.7338    0.7753 H   0  0  0  0  0
    2.4368    2.0870    1.1049 H   0  0  0  0  0
    3.1708   -0.2532    0.7506 H   0  0  0  0  0
    1.5280   -1.9877    0.0507 H   0  0  0  0  0
   -4.4126    1.1810    0.9151 H   0  0  0  0  0
   -1.3218    3.1959   -0.9577 H   0  0  0  0  0
   -6.9001    4.7617   -0.0274 H   0  0  0  0  0
   -8.1519    6.8410    0.0019 H   0  0  0  0  0
   -6.9802    9.0289   -0.0256 H   0  0  0  0  0
   -4.4990    9.0867   -0.0498 H   0  0  0  0  0
   -3.2072    7.0316   -0.0081 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
 10 17  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 23  2  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
M  END

>  <Chemical Name>
SMR000016661

>  <PubChem CID>
3237536

>  <Formula>
C18H15N3O2

>  <Molecular Weight>
305.337000

>  <IUPAC Name>
6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)C3=CC(=O)N(C(=O)N3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)C3=CC(=O)N(C(=O)N3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H15N3O2/c22-17-12-16(20-11-10-13-6-4-5-9-15(13)20)19-18(23)21(17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)

>  <InChI Key>
AADSRSCSJBIQMT-UHFFFAOYSA-N

