4-[6-chloranyl-2-[2-oxidanylidene-2-(2-piperidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-piperidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-[2-(1-piperidyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-piperidinoethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-N-(m-tolyl)piperazine-1-carboxamide Formula: C26H36ClN7O2S MolecularWeight: 546.12774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCCC4)Cl

InChI

InChI=1S/C26H36ClN7O2S/c1-19-7-6-8-21(15-19)29-26(36)34-14-13-33(17-20(34)2)23-16-22(27)30-25(31-23)37-18-24(35)28-9-12-32-10-4-3-5-11-32/h6-8,15-16,20H,3-5,9-14,17-18H2,1-2H3,(H,28,35)(H,29,36)