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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl pyrazine-2-carboxylate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H10ClN4O3+ MolecularWeight: 317.7072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](C=C1Cl)C(=O)C=C(N2)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC2=[N+](C=C1Cl)C(=O)C=C(N2)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H9ClN4O3/c15-9-1-2-12-18-10(5-13(20)19(12)7-9)8-22-14(21)11-6-16-3-4-17-11/h1-7H,8H2/p+1