9-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)-8-keto-7H-purine-6-carboxamide Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CNC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CNC5=CC=CC=C54)OC

InChI

InChI=1S/C22H18N6O4/c1-31-15-8-7-11(9-16(15)32-2)28-21-18(26-22(28)30)17(19(23)29)25-20(27-21)13-10-24-14-6-4-3-5-12(13)14/h3-10,24H,1-2H3,(H2,23,29)(H,26,30)