PDB CCD ID: | BKS |
Number of entries in BioLiP: | 1 |
Chemical formula: | C18 H12 Cl N3 O |
InChI: | InChI=1S/C18H12ClN3O/c19-13-8-6-12(7-9-13)15-10-22(14-4-2-1-3-5-14)17-16(15)18(23)21-11-20-17/h1-11H,(H,20,21,23) |
InChIKey: | VUHYRUNDSUZARS-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl | ACDLabs 12.01 | Clc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)cc4 | CACTVS 3.385 | Clc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O)c24 |
|
Name: | 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
ZINC: | ZINC000263621143 |