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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C24H35N4OS+ MolecularWeight: 427.6259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4OS/c1-17(2)21-8-6-20(7-9-21)16-27-12-14-28(15-13-27)23(29)11-10-22-18(3)25-24(30-5)26-19(22)4/h6-9,17H,10-16H2,1-5H3/p+1