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

Systemtic Name: methyl 2-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c1-28-18(25)13-6-2-3-7-14(13)23-17-15(24(26)27)16(21-11-22-17)20-10-12-5-4-8-19-9-12/h2-9,11H,10H2,1H3,(H2,20,21,22,23)