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

Systemtic Name: 4-[6-chloranyl-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-[3-(2-methyl-1-piperidyl)propylamino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[3-(2-methyl-1-piperidinyl)propylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[3-(2-methylpiperidino)propylamino]ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C27H44ClN7O2S MolecularWeight: 566.20196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC4CCCCC4

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC4CCCCC4

InChI

InChI=1S/C27H44ClN7O2S/c1-20-9-6-7-13-33(20)14-8-12-29-25(36)19-38-26-31-23(28)17-24(32-26)34-15-16-35(21(2)18-34)27(37)30-22-10-4-3-5-11-22/h17,20-22H,3-16,18-19H2,1-2H3,(H,29,36)(H,30,37)