3-methyl-6-methylsulfanyl-8-[2,3,5-tris(chloranyl)phenyl]-7H-purin-2-one

Systemtic Name: 3-methyl-6-methylsulfanyl-8-[2,3,5-tris(chloranyl)phenyl]-7H-purin-2-one Openeye Name: 3-methyl-6-methylsulfanyl-8-(2,3,5-trichlorophenyl)-7H-purin-2-one CAS Name: 3-methyl-6-(methylthio)-8-(2,3,5-trichlorophenyl)-7H-purin-2-one IUPAC Name: 3-methyl-6-methylsulfanyl-8-(2,3,5-trichlorophenyl)-7H-purin-2-one Traditional Name: 3-methyl-6-(methylthio)-8-(2,3,5-trichlorophenyl)-7H-purin-2-one Formula: C13H9Cl3N4OS MolecularWeight: 375.66076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CC(=CC(=C3Cl)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CC(=CC(=C3Cl)Cl)Cl

InChI

InChI=1S/C13H9Cl3N4OS/c1-20-11-9(12(22-2)19-13(20)21)17-10(18-11)6-3-5(14)4-7(15)8(6)16/h3-4H,1-2H3,(H,17,18)