4-[6-chloranyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(3-morpholinopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(3-morpholinopropylamino)ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C25H40ClN7O3S MolecularWeight: 554.1482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCCN4CCOCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCCN4CCOCC4)Cl

InChI

InChI=1S/C25H40ClN7O3S/c1-19-17-32(10-11-33(19)25(35)28-20-6-3-2-4-7-20)22-16-21(26)29-24(30-22)37-18-23(34)27-8-5-9-31-12-14-36-15-13-31/h16,19-20H,2-15,17-18H2,1H3,(H,27,34)(H,28,35)