6-[[4-[methyl(pyridin-2-yl)amino]-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid

Systemtic Name: 6-[[4-[methyl(pyridin-2-yl)amino]-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid Openeye Name: 6-[[4-[methyl(2-pyridyl)amino]-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid CAS Name: 6-[[4-[methyl(2-pyridinyl)amino]-5-nitro-2-pyrimidinyl]amino]-1-naphthalenecarboxylic acid IUPAC Name: 6-[[4-[methyl(pyridin-2-yl)amino]-5-nitropyrimidin-2-yl]amino]naphthalene-1-carboxylic acid Traditional Name: 6-[[4-[methyl(2-pyridyl)amino]-5-nitro-pyrimidin-2-yl]amino]-1-naphthoic acid Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC4=C(C=C3)C(=CC=C4)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=N1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC4=C(C=C3)C(=CC=C4)C(=O)O

InChI

InChI=1S/C21H16N6O4/c1-26(18-7-2-3-10-22-18)19-17(27(30)31)12-23-21(25-19)24-14-8-9-15-13(11-14)5-4-6-16(15)20(28)29/h2-12H,1H3,(H,28,29)(H,23,24,25)