1-(4-chlorophenyl)-2-methylsulfanyl-9-phenyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-methylsulfanyl-9-phenyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-methylsulfanyl-9-phenyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-(methylthio)-9-phenyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-methylsulfanyl-9-phenylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-(methylthio)-9-phenyl-purin-6-one Formula: C18H13ClN4OS MolecularWeight: 368.84002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)N=CN2C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)N=CN2C4=CC=CC=C4

InChI

InChI=1S/C18H13ClN4OS/c1-25-18-21-16-15(20-11-22(16)13-5-3-2-4-6-13)17(24)23(18)14-9-7-12(19)8-10-14/h2-11H,1H3