(3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one

Systemtic Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one Openeye Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one CAS Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pentanone IUPAC Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one Traditional Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-1-[4-(2-pyrimidyl)piperazino]pentan-1-one Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC[C@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5OS/c1-3-22(2,15-19-25-17-7-4-5-8-18(17)29-19)16-20(28)26-11-13-27(14-12-26)21-23-9-6-10-24-21/h4-10H,3,11-16H2,1-2H3/t22-/m1/s1