2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(2-methyl-1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-[3-(2-methylpiperidino)propyl]acetamide Formula: C25H39ClN6O2S MolecularWeight: 523.13416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C25H39ClN6O2S/c1-19-7-4-5-11-30(19)12-6-10-27-23(33)18-35-25-28-21(26)17-22(29-25)31-13-15-32(16-14-31)24(34)20-8-2-3-9-20/h17,19-20H,2-16,18H2,1H3,(H,27,33)