(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C15H12ClN4O3S+ MolecularWeight: 363.79878

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)Cl

InChI

InChI=1S/C15H11ClN4O3S/c1-24-15-17-7-10(16)13(19-15)14(22)23-8-9-6-12(21)20-5-3-2-4-11(20)18-9/h2-7H,8H2,1H3/p+1