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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(4-propionylpiperazino)phenyl]acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H27N5O2S/c1-4-20(28)26-11-9-25(10-12-26)18-7-5-17(6-8-18)24-19(27)14-29-21-22-15(2)13-16(3)23-21/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,27)