methyl 4-[[4-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]-3-oxidanylidene-butyl]-methyl-amino]benzoate

Systemtic Name: methyl 4-[[4-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]-3-oxidanylidene-butyl]-methyl-amino]benzoate Openeye Name: methyl 4-[[4-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]-3-oxo-butyl]-methyl-amino]benzoate CAS Name: 4-[[4-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]-3-oxobutyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]-3-oxobutyl]-methylamino]benzoate Traditional Name: 4-[[4-[(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)amino]-3-keto-butyl]-methyl-amino]benzoic acid methyl ester Formula: C17H20N6O6 MolecularWeight: 404.3773

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)CNC1=C(C(=O)N=C(N1)N)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(CCC(=O)CNC1=C(C(=O)N=C(N1)N)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H20N6O6/c1-22(11-5-3-10(4-6-11)16(26)29-2)8-7-12(24)9-19-14-13(23(27)28)15(25)21-17(18)20-14/h3-6H,7-9H2,1-2H3,(H4,18,19,20,21,25)