2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(4-isobutyrylpiperazino)phenyl]acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)C)C

InChI

InChI=1S/C22H29N5O2S/c1-15(2)21(29)27-11-9-26(10-12-27)19-7-5-18(6-8-19)25-20(28)14-30-22-23-16(3)13-17(4)24-22/h5-8,13,15H,9-12,14H2,1-4H3,(H,25,28)