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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C23H32N4O2S/c1-5-29-20-8-6-19(7-9-20)16-26-12-14-27(15-13-26)22(28)11-10-21-17(2)24-23(30-4)25-18(21)3/h6-9H,5,10-16H2,1-4H3/p+1