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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-16-20(17(2)24-22(23-16)29-4)9-10-21(27)26-13-11-25(12-14-26)15-18-5-7-19(28-3)8-6-18/h5-8H,9-15H2,1-4H3/p+1