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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(2-methyl-1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-[3-(2-methylpiperidino)propyl]acetamide Formula: C24H39ClN6O2S MolecularWeight: 511.12346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCCC3C)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCCC3C)Cl

InChI

InChI=1S/C24H39ClN6O2S/c1-4-8-23(33)31-14-13-30(16-19(31)3)21-15-20(25)27-24(28-21)34-17-22(32)26-10-7-12-29-11-6-5-9-18(29)2/h15,18-19H,4-14,16-17H2,1-3H3,(H,26,32)