9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-2-[4-(methylthio)phenyl]-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-8-keto-2-[4-(methylthio)phenyl]-7H-purine-6-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C21H19N5O2S/c1-11-4-7-14(10-12(11)2)26-20-17(24-21(26)28)16(18(22)27)23-19(25-20)13-5-8-15(29-3)9-6-13/h4-10H,1-3H3,(H2,22,27)(H,24,28)