2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)acetamide Formula: C23H37ClN6O2S MolecularWeight: 497.09688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

InChI

InChI=1S/C23H37ClN6O2S/c1-17(2)13-22(32)30-12-11-29(15-18(30)3)20-14-19(24)26-23(27-20)33-16-21(31)25-7-10-28-8-5-4-6-9-28/h14,17-18H,4-13,15-16H2,1-3H3,(H,25,31)