N-butyl-2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C23H38ClN5O2S MolecularWeight: 484.09812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCC)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCC)Cl

InChI

InChI=1S/C23H38ClN5O2S/c1-4-6-8-9-10-11-22(31)29-14-13-28(16-18(29)3)20-15-19(24)26-23(27-20)32-17-21(30)25-12-7-5-2/h15,18H,4-14,16-17H2,1-3H3,(H,25,30)