(4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenyl-methanone

Systemtic Name: (4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenyl-methanone Openeye Name: (4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenyl-methanone CAS Name: [4-ethyl-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-yl]-phenylmethanone IUPAC Name: (4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenylmethanone Traditional Name: [4-ethyl-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-yl]-phenyl-methanone Formula: C15H19N2OS+ MolecularWeight: 275.38916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=[NH+]1)SC)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1C(=C(NC(=[NH+]1)SC)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2OS/c1-4-12-13(10(2)16-15(17-12)19-3)14(18)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3,(H,16,17)/p+1