1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-methyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-methyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-methyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylthio]-9-methyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-methylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[(3,4-dichlorobenzyl)thio]-9-methyl-purin-6-one Formula: C19H13Cl3N4OS MolecularWeight: 451.75672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H13Cl3N4OS/c1-25-10-23-16-17(25)24-19(28-9-11-2-7-14(21)15(22)8-11)26(18(16)27)13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3