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

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)acetamide Formula: C29H41ClN6O2S MolecularWeight: 573.19284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41ClN6O2S/c1-21-19-35(16-17-36(21)27(38)22-8-10-23(11-9-22)29(2,3)4)25-18-24(30)32-28(33-25)39-20-26(37)31-12-15-34-13-6-5-7-14-34/h8-11,18,21H,5-7,12-17,19-20H2,1-4H3,(H,31,37)