1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-quinone Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(6-4-7)18(21)22/h3-6H,1-2H3,(H,14,15)