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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic 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 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H14N5O3S+ MolecularWeight: 416.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C21H13N5O3S/c27-17-11-13(24-16-7-3-4-10-26(16)17)12-29-21(28)19-18(22-8-9-23-19)20-25-14-5-1-2-6-15(14)30-20/h1-11H,12H2/p+1