ethyl 4-[[6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-cyanoethyl(3-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-cyanoethyl(3-pyridinylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-cyanoethyl(3-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H26N8O4 MolecularWeight: 454.48234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)N(CCC#N)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)N(CCC#N)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N8O4/c1-2-33-21(30)27-11-6-17(7-12-27)26-19-18(29(31)32)20(25-15-24-19)28(10-4-8-22)14-16-5-3-9-23-13-16/h3,5,9,13,15,17H,2,4,6-7,10-12,14H2,1H3,(H,24,25,26)