(phenylmethyl) N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]carbamate CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]carbamic acid benzyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O3/c1-3-17(2)19(25-22(29)30-16-18-8-5-4-6-9-18)20(28)26-12-14-27(15-13-26)21-23-10-7-11-24-21/h4-11,17,19H,3,12-16H2,1-2H3,(H,25,29)/t17-,19-/m0/s1