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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C25H34ClN7O2S MolecularWeight: 532.10116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=N4)Cl

InChI

InChI=1S/C25H34ClN7O2S/c1-18-16-32(13-14-33(18)25(35)29-20-8-3-2-4-9-20)22-15-21(26)30-24(31-22)36-17-23(34)28-12-10-19-7-5-6-11-27-19/h5-7,11,15,18,20H,2-4,8-10,12-14,16-17H2,1H3,(H,28,34)(H,29,35)