dimethyl 5-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-amino-5-nitro-4-pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H13N5O6 MolecularWeight: 347.28292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N)C(=O)OC

InChI

InChI=1S/C14H13N5O6/c1-24-13(20)7-3-8(14(21)25-2)5-9(4-7)18-12-10(19(22)23)11(15)16-6-17-12/h3-6H,1-2H3,(H3,15,16,17,18)