2-(1-benzothiophen-3-yl)-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(1-benzothiophen-3-yl)-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(benzothiophen-3-yl)-8-oxo-9-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 2-(1-benzothiophen-3-yl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(1-benzothiophen-3-yl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(benzothiophen-3-yl)-8-keto-9-(p-tolyl)-7H-purine-6-carboxamide Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CSC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C21H15N5O2S/c1-11-6-8-12(9-7-11)26-20-17(24-21(26)28)16(18(22)27)23-19(25-20)14-10-29-15-5-3-2-4-13(14)15/h2-10H,1H3,(H2,22,27)(H,24,28)