6-chloranyl-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-7H-purin-8-one

Systemtic Name: 6-chloranyl-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-7H-purin-8-one Openeye Name: 6-chloro-9-(4-isopropyl-2-methylsulfanyl-phenyl)-2-methyl-7H-purin-8-one CAS Name: 6-chloro-2-methyl-9-[2-(methylthio)-4-propan-2-ylphenyl]-7H-purin-8-one IUPAC Name: 6-chloro-2-methyl-9-(2-methylsulfanyl-4-propan-2-ylphenyl)-7H-purin-8-one Traditional Name: 6-chloro-9-[4-isopropyl-2-(methylthio)phenyl]-2-methyl-7H-purin-8-one Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)Cl)NC(=O)N2C3=C(C=C(C=C3)C(C)C)SC

Isomeric SMILES

CC1=NC2=C(C(=N1)Cl)NC(=O)N2C3=C(C=C(C=C3)C(C)C)SC

InChI

InChI=1S/C16H17ClN4OS/c1-8(2)10-5-6-11(12(7-10)23-4)21-15-13(20-16(21)22)14(17)18-9(3)19-15/h5-8H,1-4H3,(H,20,22)