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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(2-methyl-1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-[3-(2-methylpiperidino)propyl]acetamide Formula: C25H41ClN6O2S MolecularWeight: 525.15004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41ClN6O2S/c1-4-5-10-24(34)32-15-14-31(17-20(32)3)22-16-21(26)28-25(29-22)35-18-23(33)27-11-8-13-30-12-7-6-9-19(30)2/h16,19-20H,4-15,17-18H2,1-3H3,(H,27,33)