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

Systemtic Name: methyl 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

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