ethyl 4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitro-pyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitro-pyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-[2-[(4-methyl-5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N7O4 MolecularWeight: 447.44664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7O4/c1-3-33-21(30)17-12-27-22(28-20(17)16-6-4-15(11-23)5-7-16)25-9-8-24-19-10-14(2)18(13-26-19)29(31)32/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,24,26)(H,25,27,28)