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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,4,5-trimethylfuran-3-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic 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 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4/c1-9-10(2)24-11(3)16(9)17(22)23-8-13-6-15(21)20-7-12(18)4-5-14(20)19-13/h4-7H,8H2,1-3H3