tert-butyl N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]carbamate CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]carbamate Traditional Name: N-[[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C21H33N5O3 MolecularWeight: 403.51842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H33N5O3/c1-21(2,3)29-20(28)24-15-16-5-7-17(8-6-16)18(27)25-11-13-26(14-12-25)19-22-9-4-10-23-19/h4,9-10,16-17H,5-8,11-15H2,1-3H3,(H,24,28)