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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H30N4OS/c1-16-7-5-6-8-19(16)15-25-11-13-26(14-12-25)21(27)10-9-20-17(2)23-22(28-4)24-18(20)3/h5-8H,9-15H2,1-4H3/p+1