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

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(2-methyl-1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-[3-(2-methylpiperidino)propyl]acetamide Formula: C22H35ClN6O2S MolecularWeight: 483.0703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCCC3C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCCC3C)Cl

InChI

InChI=1S/C22H35ClN6O2S/c1-3-21(31)29-13-11-28(12-14-29)19-15-18(23)25-22(26-19)32-16-20(30)24-8-6-10-27-9-5-4-7-17(27)2/h15,17H,3-14,16H2,1-2H3,(H,24,30)