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

Systemtic Name: 1-(4-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethylsulfanyl]-9-methyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethylsulfanyl]-9-methyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethylthio]-9-methyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethylsulfanyl]-9-methylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethylthio]-9-methyl-purin-6-one Formula: C20H15Cl3N4OS MolecularWeight: 465.7833

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H15Cl3N4OS/c1-26-11-24-17-18(26)25-20(27(19(17)28)15-6-4-13(21)5-7-15)29-9-8-12-2-3-14(22)10-16(12)23/h2-7,10-11H,8-9H2,1H3