methyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-pyridin-3-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-pyridin-3-yl-pyrimidine-5-carboxylate Openeye Name: methyl 2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-(3-pyridyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-(3-pyridinyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-pyridin-3-ylpyrimidine-5-carboxylate Traditional Name: 2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-(3-pyridyl)pyrimidine-5-carboxylic acid methyl ester Formula: C18H17N7O4 MolecularWeight: 395.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C2=CN=CC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C2=CN=CC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O4/c1-29-17(26)14-11-23-18(24-16(14)12-3-2-6-19-9-12)21-8-7-20-15-5-4-13(10-22-15)25(27)28/h2-6,9-11H,7-8H2,1H3,(H,20,22)(H,21,23,24)