N-butyl-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C13H21N5S MolecularWeight: 279.40434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C13H21N5S/c1-2-3-5-16-13(19)18-10-8-17(9-11-18)12-14-6-4-7-15-12/h4,6-7H,2-3,5,8-11H2,1H3,(H,16,19)