9-(4-tert-butylphenyl)-2-(4-nitrophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-2-(4-nitrophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-8-keto-2-(4-nitrophenyl)-7H-purine-6-carboxamide Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O4/c1-22(2,3)13-6-10-14(11-7-13)27-20-17(25-21(27)30)16(18(23)29)24-19(26-20)12-4-8-15(9-5-12)28(31)32/h4-11H,1-3H3,(H2,23,29)(H,25,30)