3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanethioamide

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanethioamide Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanethioamide CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazinyl]pentanethioamide IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanethioamide Traditional Name: 3-[4-(2-pyrimidyl)piperazino]thiovaleramide Formula: C13H21N5S MolecularWeight: 279.40434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCC(CC(=S)N)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C13H21N5S/c1-2-11(10-12(14)19)17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,11H,2,6-10H2,1H3,(H2,14,19)