8-[(2-methoxy-5-nitro-phenyl)amino]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(2-methoxy-5-nitro-phenyl)amino]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(2-methoxy-5-nitro-anilino)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(2-methoxy-5-nitroanilino)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2-methoxy-5-nitroanilino)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(2-methoxy-5-nitro-anilino)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H14N6O5 MolecularWeight: 346.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O5/c1-18-11-10(12(21)19(2)14(18)22)16-13(17-11)15-8-6-7(20(23)24)4-5-9(8)25-3/h4-6H,1-3H3,(H2,15,16,17)