4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-3-4-9-20(2)15-13(21(24)25)14(17-10-18-15)19-12-7-5-11(6-8-12)16(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,23)(H,17,18,19)