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

Systemtic Name: 9-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethoxyphenyl)-8-keto-2-(4-nitrophenyl)-7H-purine-6-carboxamide Formula: C20H16N6O6 MolecularWeight: 436.37764

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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=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H16N6O6/c1-31-13-8-7-12(9-14(13)32-2)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)10-3-5-11(6-4-10)26(29)30/h3-9H,1-2H3,(H2,21,27)(H,23,28)