2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[[4-chloro-6-(4-pivaloylpiperazino)pyrimidin-2-yl]thio]-N-homoveratryl-acetamide Formula: C25H34ClN5O4S MolecularWeight: 536.08656

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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(=C(C=C3)OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN5O4S/c1-25(2,3)23(33)31-12-10-30(11-13-31)21-15-20(26)28-24(29-21)36-16-22(32)27-9-8-17-6-7-18(34-4)19(14-17)35-5/h6-7,14-15H,8-13,16H2,1-5H3,(H,27,32)