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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-(4-propargylpiperazino)phenyl]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2N3CCN(CC3)CC#C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2N3CCN(CC3)CC#C)C

InChI

InChI=1S/C21H25N5OS/c1-4-9-25-10-12-26(13-11-25)19-8-6-5-7-18(19)24-20(27)15-28-21-22-16(2)14-17(3)23-21/h1,5-8,14H,9-13,15H2,2-3H3,(H,24,27)