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

Systemtic Name: 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C16H12N6O4 MolecularWeight: 352.30428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6O4/c23-16(24)10-3-5-11(6-4-10)20-14-13(22(25)26)15(19-9-18-14)21-12-2-1-7-17-8-12/h1-9H,(H,23,24)(H2,18,19,20,21)