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

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C29H35ClN6O2S MolecularWeight: 567.1452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35ClN6O2S/c1-20-18-35(15-16-36(20)27(38)21-8-10-22(11-9-21)29(2,3)4)25-17-24(30)33-28(34-25)39-19-26(37)32-14-12-23-7-5-6-13-31-23/h5-11,13,17,20H,12,14-16,18-19H2,1-4H3,(H,32,37)