3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(3-thenyl)piperazin-4-ium-1-yl]propan-1-one Formula: C19H27N4OS2+ MolecularWeight: 391.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C19H26N4OS2/c1-14-17(15(2)21-19(20-14)25-3)4-5-18(24)23-9-7-22(8-10-23)12-16-6-11-26-13-16/h6,11,13H,4-5,7-10,12H2,1-3H3/p+1