7-methyl-2-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-15-7-8-19-22-17(11-20(26)24(19)12-15)13-28-14-21(27)25-10-9-18(23-25)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13-14H2,1H3/p+1