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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

InChI

InChI=1S/C18H15BrN2O3/c1-11-3-4-13(7-12(11)2)18(23)24-10-15-8-17(22)21-9-14(19)5-6-16(21)20-15/h3-9H,10H2,1-2H3