2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C24H32ClN5O3S MolecularWeight: 506.06058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H32ClN5O3S/c1-2-3-4-5-8-26-23(31)16-34-24-27-21(25)14-22(28-24)30-11-9-29(10-12-30)15-18-6-7-19-20(13-18)33-17-32-19/h6-7,13-14H,2-5,8-12,15-17H2,1H3,(H,26,31)