1,3-dimethyl-8-[(3-nitrophenyl)amino]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(3-nitrophenyl)amino]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-nitroanilino)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-nitroanilino)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-nitroanilino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-nitroanilino)-7H-purine-2,6-quinone Formula: C13H12N6O4 MolecularWeight: 316.27218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O4/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)14-7-4-3-5-8(6-7)19(22)23/h3-6H,1-2H3,(H2,14,15,16)