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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C24H32ClN7O2S MolecularWeight: 518.07458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C24H32ClN7O2S/c1-17-15-31(10-11-32(17)24(34)28-19-7-3-2-4-8-19)21-12-20(25)29-23(30-21)35-16-22(33)27-14-18-6-5-9-26-13-18/h5-6,9,12-13,17,19H,2-4,7-8,10-11,14-16H2,1H3,(H,27,33)(H,28,34)