2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-anisoyl-piperazino)pyrimidin-2-yl]thio]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C26H29ClN6O3S MolecularWeight: 541.06486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=N4)Cl

InChI

InChI=1S/C26H29ClN6O3S/c1-18-16-32(13-14-33(18)25(35)19-6-8-21(36-2)9-7-19)23-15-22(27)30-26(31-23)37-17-24(34)29-12-10-20-5-3-4-11-28-20/h3-9,11,15,18H,10,12-14,16-17H2,1-2H3,(H,29,34)