7-methyl-4-oxidanylidene-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 7-methyl-4-oxidanylidene-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 7-methyl-4-oxo-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 7-methyl-4-oxo-2-(phenylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 7-methyl-4-oxo-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 4-keto-7-methyl-2-(phenylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C16H13N2O2S+ MolecularWeight: 297.35162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)C=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)C=O)SC3=CC=CC=C3

InChI

InChI=1S/C16H12N2O2S/c1-11-7-8-14-17-15(21-12-5-3-2-4-6-12)13(10-19)16(20)18(14)9-11/h2-10H,1H3/p+1