3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propionamide Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C)C

InChI

InChI=1S/C23H33N5OS/c1-6-27-11-13-28(14-12-27)21-9-7-19(15-16(21)2)26-22(29)10-8-20-17(3)24-23(30-5)25-18(20)4/h7,9,15H,6,8,10-14H2,1-5H3,(H,26,29)/p+1