4-[6-chloranyl-2-[2-oxidanylidene-2-(2-piperidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-piperidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-[2-(1-piperidyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-piperidinoethylamino)ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C25H40ClN7O2S MolecularWeight: 538.1488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCCC4)Cl

InChI

InChI=1S/C25H40ClN7O2S/c1-19-17-32(14-15-33(19)25(35)28-20-8-4-2-5-9-20)22-16-21(26)29-24(30-22)36-18-23(34)27-10-13-31-11-6-3-7-12-31/h16,19-20H,2-15,17-18H2,1H3,(H,27,34)(H,28,35)