(2S,3R)-5-methyl-2-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-2-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-hexanamide Openeye Name: (2S,3R)-5-methyl-2-propyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)hexanamide CAS Name: (2S,3R)-5-methyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-propylhexanamide IUPAC Name: (2S,3R)-5-methyl-2-propyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)hexanamide Traditional Name: (2S,3R)-5-methyl-2-propyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]hexanamide Formula: C19H31N5O2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)C2=NC=CC=N2)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)C2=NC=CC=N2)C(=O)N

InChI

InChI=1S/C19H31N5O2/c1-4-6-15(17(20)25)16(13-14(2)3)18(26)23-9-11-24(12-10-23)19-21-7-5-8-22-19/h5,7-8,14-16H,4,6,9-13H2,1-3H3,(H2,20,25)/t15-,16+/m0/s1