O4-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl] ester O2-ethyl ester IUPAC Name: 4-O-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl] ester O2-ethyl ester Formula: C19H18BrN3O5 MolecularWeight: 448.26732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

InChI

InChI=1S/C19H18BrN3O5/c1-4-27-19(26)17-10(2)16(11(3)21-17)18(25)28-9-13-7-15(24)23-8-12(20)5-6-14(23)22-13/h5-8,21H,4,9H2,1-3H3