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

Systemtic Name: 6-methyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)[N+]3=C(C=CC=C3N2)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)[N+]3=C(C=CC=C3N2)C

InChI

InChI=1S/C17H18N4O2S/c1-3-5-12-8-15(22)20-17(19-12)24-10-13-9-16(23)21-11(2)6-4-7-14(21)18-13/h4,6-9H,3,5,10H2,1-2H3,(H,19,20,22)/p+1