ethyl 1-[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-amino-6-(2-ethylanilino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C20H27N5O2/c1-3-14-8-5-6-10-16(14)24-18-17(21)19(23-13-22-18)25-11-7-9-15(12-25)20(26)27-4-2/h5-6,8,10,13,15H,3-4,7,9,11-12,21H2,1-2H3,(H,22,23,24)