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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-(2-hydroxyethylthio)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(2-hydroxyethylthio)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C11H11N2O3S+ MolecularWeight: 251.28164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)C=O)SCCO

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)C=O)SCCO

InChI

InChI=1S/C11H10N2O3S/c14-5-6-17-10-8(7-15)11(16)13-4-2-1-3-9(13)12-10/h1-4,7,14H,5-6H2/p+1