2-phenylpropyl 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate

Systemtic Name: 2-phenylpropyl 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate Openeye Name: 2-phenylpropyl 4-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]cyclohexanecarboxylate CAS Name: 4-[(5-chloro-6-ethyl-4-pyrimidinyl)amino]-1-cyclohexanecarboxylic acid 2-phenylpropyl ester IUPAC Name: 2-phenylpropyl 4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate Traditional Name: 4-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]cyclohexanecarboxylic acid 2-phenylpropyl ester Formula: C22H28ClN3O2 MolecularWeight: 401.92962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC2CCC(CC2)C(=O)OCC(C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NC2CCC(CC2)C(=O)OCC(C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O2/c1-3-19-20(23)21(25-14-24-19)26-18-11-9-17(10-12-18)22(27)28-13-15(2)16-7-5-4-6-8-16/h4-8,14-15,17-18H,3,9-13H2,1-2H3,(H,24,25,26)