methyl 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H21N5O4/c1-4-5-10-21(2)16-14(22(24)25)15(18-11-19-16)20-13-9-7-6-8-12(13)17(23)26-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)