6-azanyl-2-[(4-chlorophenyl)methylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[(4-chlorophenyl)methylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[(4-chlorophenyl)methylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[(4-chlorobenzyl)thio]-7H-purin-8-one Formula: C19H16ClN5OS MolecularWeight: 397.88124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=C(C=C4)Cl)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=C(C=C4)Cl)N)NC2=O

InChI

InChI=1S/C19H16ClN5OS/c20-14-8-6-13(7-9-14)11-27-18-23-16(21)15-17(24-18)25(19(26)22-15)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,26)(H2,21,23,24)