2-methyl-9-(4-methylsulfanylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-methyl-9-(4-methylsulfanylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-methyl-9-(4-methylsulfanylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-methyl-9-[4-(methylthio)phenyl]-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-methyl-9-(4-methylsulfanylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 8-keto-2-methyl-9-[4-(methylthio)phenyl]-7H-purine-6-carboxamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)SC)C(=O)N

Isomeric SMILES

CC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)SC)C(=O)N

InChI

InChI=1S/C14H13N5O2S/c1-7-16-10(12(15)20)11-13(17-7)19(14(21)18-11)8-3-5-9(22-2)6-4-8/h3-6H,1-2H3,(H2,15,20)(H,18,21)