4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N6O4/c1-10-3-2-8-18-14(10)22-16-13(23(26)27)15(19-9-20-16)21-12-6-4-11(5-7-12)17(24)25/h2-9H,1H3,(H,24,25)(H2,18,19,20,21,22)