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

Systemtic Name: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-8-keto-2-(2-nitrophenyl)-7H-purine-6-carboxamide Formula: C20H16N6O4 MolecularWeight: 404.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C20H16N6O4/c1-10-7-8-12(9-11(10)2)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)13-5-3-4-6-14(13)26(29)30/h3-9H,1-2H3,(H2,21,27)(H,23,28)