4-[6-aminocarbonyl-9-(3,4-dimethylphenyl)-8-oxidanylidene-7H-purin-2-yl]benzoate

Systemtic Name: 4-[6-aminocarbonyl-9-(3,4-dimethylphenyl)-8-oxidanylidene-7H-purin-2-yl]benzoate Openeye Name: 4-[6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-7H-purin-2-yl]benzoate CAS Name: 4-[6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-7H-purin-2-yl]benzoate IUPAC Name: 4-[6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-7H-purin-2-yl]benzoate Traditional Name: 4-[6-carbamoyl-9-(3,4-dimethylphenyl)-8-keto-7H-purin-2-yl]benzoate Formula: C21H16N5O4- MolecularWeight: 402.38284

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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=C(C=C4)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4/c1-10-3-8-14(9-11(10)2)26-19-16(24-21(26)30)15(17(22)27)23-18(25-19)12-4-6-13(7-5-12)20(28)29/h3-9H,1-2H3,(H2,22,27)(H,24,30)(H,28,29)/p-1