8-[(2,5-dimethylphenyl)methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one

Systemtic Name: 8-[(2,5-dimethylphenyl)methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Openeye Name: 8-[(2,5-dimethylphenyl)methylsulfanyl]-9-(p-tolyl)-3H-purin-6-one CAS Name: 8-[(2,5-dimethylphenyl)methylthio]-9-(4-methylphenyl)-3H-purin-6-one IUPAC Name: 8-[(2,5-dimethylphenyl)methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Traditional Name: 8-[(2,5-dimethylbenzyl)thio]-9-(p-tolyl)-3H-purin-6-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C21H20N4OS/c1-13-5-8-17(9-6-13)25-19-18(20(26)23-12-22-19)24-21(25)27-11-16-10-14(2)4-7-15(16)3/h4-10,12H,11H2,1-3H3,(H,22,23,26)