1-[2-(4-methoxyphenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-(4-methoxyphenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-5-yl]ethanone Openeye Name: 1-[2-(4-methoxyphenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-5-yl]ethanone CAS Name: 1-[2-(4-methoxyphenyl)-4-methyl-6-[2-(4-morpholin-4-iumyl)ethylthio]-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-(4-methoxyphenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-5-yl]ethanone Traditional Name: 1-[2-(4-methoxyphenyl)-4-methyl-6-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-5-yl]ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SCC[NH+]3CCOCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SCC[NH+]3CCOCC3)C(=O)C

InChI

InChI=1S/C20H25N3O3S/c1-14-18(15(2)24)20(27-13-10-23-8-11-26-12-9-23)22-19(21-14)16-4-6-17(25-3)7-5-16/h4-7H,8-13H2,1-3H3/p+1