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

Systemtic Name: 7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-benzylsulfanyl-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 7-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-benzylsulfanyl-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(benzylthio)-4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C17H15N2O2S+ MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S/c1-12-7-8-15-18-16(14(10-20)17(21)19(15)9-12)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1