
 cid_660196

 39 42  0  0  0  0  0  0  0  0999 V2000
   -0.7671   -3.3537    0.6875 C   0  0  0  0  0
   -0.1209   -2.1938    0.2600 C   0  0  0  0  0
    1.2696   -2.1770    0.0332 C   0  0  0  0  0
    2.0001   -3.3507    0.2735 C   0  0  0  0  0
    1.3450   -4.5102    0.6967 C   0  0  0  0  0
   -0.0339   -4.5169    0.9022 C   0  0  0  0  0
    2.2468   -5.9516    0.9658 Cl  0  0  0  0  0
    1.9113   -0.8787   -0.4228 C   0  0  0  0  0
    2.3376    0.0166    0.7544 C   0  0  0  0  0
    3.2048    0.9688    0.0067 C   0  0  0  0  0
    3.3946    2.1368    0.2874 O   0  0  0  0  0
    3.7966    0.2495   -1.2000 C   0  0  0  0  0
    4.6970    0.7321   -1.8552 O   0  0  0  0  0
    3.0390   -0.9016   -1.3366 N   0  0  0  0  0
    3.0993   -1.6876   -2.4941 C   0  0  0  0  0
    4.1834   -1.6026   -3.2761 N   0  0  0  0  0
    4.2227   -2.3613   -4.3854 C   0  0  0  0  0
    3.2157   -3.2179   -4.7445 C   0  0  0  0  0
    2.1475   -3.2493   -3.8855 C   0  0  0  0  0
    2.0641   -2.4965   -2.7704 N   0  0  0  0  0
    3.1758   -0.7074    1.7853 C   0  0  0  0  0
    4.3491   -0.9940    1.5386 O   0  0  0  0  0
    2.5538   -1.0716    3.0389 C   0  0  0  0  0
    3.0775   -1.7218    4.1373 C   0  0  0  0  0
    2.0277   -1.8473    5.0764 C   0  0  0  0  0
    0.9275   -1.2611    4.4930 C   0  0  0  0  0
    1.2365   -0.7859    3.2596 O   0  0  0  0  0
   -1.8430   -3.3507    0.8475 H   0  0  0  0  0
   -0.7193   -1.2991    0.0958 H   0  0  0  0  0
    3.0767   -3.3759    0.1174 H   0  0  0  0  0
   -0.5401   -5.4221    1.2269 H   0  0  0  0  0
    1.1388   -0.3285   -0.9857 H   0  0  0  0  0
    1.4887    0.5449    1.1964 H   0  0  0  0  0
    5.1183   -2.2500   -4.9894 H   0  0  0  0  0
    3.2625   -3.8222   -5.6391 H   0  0  0  0  0
    1.2968   -3.8986   -4.0708 H   0  0  0  0  0
    4.0990   -2.0677    4.2360 H   0  0  0  0  0
    2.0674   -2.3080    6.0534 H   0  0  0  0  0
   -0.0953   -1.1129    4.8142 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 31  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 37  1  0  0  0
 25 26  2  0  0  0
 25 38  1  0  0  0
 26 27  1  0  0  0
 26 39  1  0  0  0
M  END

>  <Chemical Name>
cid_660196

>  <PubChem CID>
91896199

>  <Formula>
C19H12ClN3O4

>  <Molecular Weight>
381.772000

>  <IUPAC Name>
5-(3-chlorophenyl)-4-(furan-2-carbonyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC(=C1)Cl)C2C(C(=O)C(=O)N2C3=NC=CC=N3)C(=O)C4=CC=CO4

>  <Isomeric SMILES>
C1=CC(=CC(=C1)Cl)C2C(C(=O)C(=O)N2C3=NC=CC=N3)C(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C19H12ClN3O4/c20-12-5-1-4-11(10-12)15-14(16(24)13-6-2-9-27-13)17(25)18(26)23(15)19-21-7-3-8-22-19/h1-10,14-15H

>  <InChI Key>
DMPPKPOTCKPWDT-UHFFFAOYSA-N

