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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)N

InChI

InChI=1S/C14H11BrN4O3S/c1-7-12(13(16)23-18-7)14(21)22-6-9-4-11(20)19-5-8(15)2-3-10(19)17-9/h2-5H,6,16H2,1H3