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

Systemtic Name: 9-methyl-4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 9-methyl-4-oxo-2-pyrimidin-2-ylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 9-methyl-4-oxo-2-(2-pyrimidinylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 9-methyl-4-oxo-2-pyrimidin-2-ylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 4-keto-9-methyl-2-(2-pyrimidylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C14H11N4O2S+ MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)SC3=NC=CC=N3

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)SC3=NC=CC=N3

InChI

InChI=1S/C14H10N4O2S/c1-9-4-2-7-18-11(9)17-12(10(8-19)13(18)20)21-14-15-5-3-6-16-14/h2-8H,1H3/p+1