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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

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