2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-chloro-6-(4-pivaloylpiperazino)pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-23(2,3)21(31)29-13-11-28(12-14-29)19-15-18(24)26-22(27-19)32-16-20(30)25-10-9-17-7-5-4-6-8-17/h4-8,15H,9-14,16H2,1-3H3,(H,25,30)