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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]ethanamide Openeye Name: N-[4-(4-allylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(4-prop-2-enyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide Traditional Name: N-[4-(4-allylpiperazino)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS/c1-4-9-25-10-12-26(13-11-25)19-7-5-18(6-8-19)24-20(27)15-28-21-22-16(2)14-17(3)23-21/h4-8,14H,1,9-13,15H2,2-3H3,(H,24,27)