(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-azanylpyrazine-2-carboxylate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-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 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H11ClN5O3+ MolecularWeight: 332.72184

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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=C3N

Isomeric SMILES

C1=CC2=[N+](C=C1Cl)C(=O)C=C(N2)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C14H10ClN5O3/c15-8-1-2-10-19-9(5-11(21)20(10)6-8)7-23-14(22)12-13(16)18-4-3-17-12/h1-6H,7H2,(H2,16,18,22)/p+1