2-[(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-acetyl-2-ethyl-6-methyl-4-pyrimidinyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C)C(=O)C)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C)C(=O)C)C

InChI

InChI=1S/C19H20N4O2S/c1-5-15-20-12(3)18(13(4)24)19(22-15)26-10-14-8-17(25)23-9-11(2)6-7-16(23)21-14/h6-9H,5,10H2,1-4H3/p+1