6-[(4-chlorophenyl)methylamino]-8-methylsulfanyl-9-phenyl-1H-purin-2-one

Systemtic Name: 6-[(4-chlorophenyl)methylamino]-8-methylsulfanyl-9-phenyl-1H-purin-2-one Openeye Name: 6-[(4-chlorophenyl)methylamino]-8-methylsulfanyl-9-phenyl-1H-purin-2-one CAS Name: 6-[(4-chlorophenyl)methylamino]-8-(methylthio)-9-phenyl-1H-purin-2-one IUPAC Name: 6-[(4-chlorophenyl)methylamino]-8-methylsulfanyl-9-phenyl-1H-purin-2-one Traditional Name: 6-[(4-chlorobenzyl)amino]-8-(methylthio)-9-phenyl-1H-purin-2-one Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(NC(=O)N=C2N1C3=CC=CC=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC2=C(NC(=O)N=C2N1C3=CC=CC=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN5OS/c1-27-19-22-15-16(21-11-12-7-9-13(20)10-8-12)23-18(26)24-17(15)25(19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,21,23,24,26)