9-(4-methylphenyl)-8-oxidanylidene-2-(4-phenylthiophen-2-yl)-7H-purine-6-carboxamide

Systemtic Name: 9-(4-methylphenyl)-8-oxidanylidene-2-(4-phenylthiophen-2-yl)-7H-purine-6-carboxamide Openeye Name: 8-oxo-2-(4-phenyl-2-thienyl)-9-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 9-(4-methylphenyl)-8-oxo-2-(4-phenyl-2-thiophenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(4-methylphenyl)-8-oxo-2-(4-phenylthiophen-2-yl)-7H-purine-6-carboxamide Traditional Name: 8-keto-2-(4-phenyl-2-thienyl)-9-(p-tolyl)-7H-purine-6-carboxamide Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H17N5O2S/c1-13-7-9-16(10-8-13)28-22-19(26-23(28)30)18(20(24)29)25-21(27-22)17-11-15(12-31-17)14-5-3-2-4-6-14/h2-12H,1H3,(H2,24,29)(H,26,30)