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

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methylthiadiazole-5-carboxylate CAS Name: 4-methyl-5-thiadiazolecarboxylic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methylthiadiazole-5-carboxylate Traditional Name: 4-methylthiadiazole-5-carboxylic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H13N4O3S+ MolecularWeight: 317.34302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=C(N=NS3)C

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=C(N=NS3)C

InChI

InChI=1S/C14H12N4O3S/c1-8-4-3-5-18-11(19)6-10(15-13(8)18)7-21-14(20)12-9(2)16-17-22-12/h3-6H,7H2,1-2H3/p+1