2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(3-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-(3-thiophenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(3-thenyl)piperazino]ethanone Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C17H22N4OS2/c1-13-9-14(2)19-17(18-13)24-12-16(22)21-6-4-20(5-7-21)10-15-3-8-23-11-15/h3,8-9,11H,4-7,10,12H2,1-2H3