(7-methyl-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-methyl-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-methyl-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-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-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 (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CSC(=N3)NCC=C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CSC(=N3)NCC=C

InChI

InChI=1S/C17H16N4O3S/c1-3-6-18-17-20-13(10-25-17)16(23)24-9-12-7-15(22)21-8-11(2)4-5-14(21)19-12/h3-5,7-8,10H,1,6,9H2,2H3,(H,18,20)/p+1