(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H14BrN4O3S+ MolecularWeight: 422.27636

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C16H13BrN4O3S/c1-2-5-18-16-20-12(9-25-16)15(23)24-8-11-6-14(22)21-7-10(17)3-4-13(21)19-11/h2-4,6-7,9H,1,5,8H2,(H,18,20)/p+1