7-methyl-3-[(oxidanylamino)methylidene]-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-3-[(oxidanylamino)methylidene]-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-benzylsulfanyl-3-[(hydroxyamino)methylene]-7-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[(hydroxyamino)methylidene]-7-methyl-2-(phenylmethylthio)-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-benzylsulfanyl-3-[(hydroxyamino)methylidene]-7-methylpyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(benzylthio)-3-[(hydroxyamino)methylene]-7-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)N=C(C(=CNO)C2=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)N=C(C(=CNO)C2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-12-7-8-15-19-16(23-11-13-5-3-2-4-6-13)14(9-18-22)17(21)20(15)10-12/h2-10,22H,11H2,1H3/p+1