methyl 2-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

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