8-(2-azanyl-4-nitro-phenyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-azanyl-4-nitro-phenyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(2-amino-4-nitro-phenyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(2-amino-4-nitrophenyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2-amino-4-nitrophenyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(2-amino-4-nitro-phenyl)-1,3-dimethyl-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)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

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