4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N6O4/c24-17(25)12-3-5-13(6-4-12)22-16-14(23(26)27)15(20-10-21-16)19-9-11-2-1-7-18-8-11/h1-8,10H,9H2,(H,24,25)(H2,19,20,21,22)