methyl 2-[4-(bromomethyl)phenyl]-5,6-bis(phenylcarbonyloxy)pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[4-(bromomethyl)phenyl]-5,6-bis(phenylcarbonyloxy)pyrimidine-4-carboxylate Openeye Name: methyl 5,6-dibenzoyloxy-2-[4-(bromomethyl)phenyl]pyrimidine-4-carboxylate CAS Name: 5,6-dibenzoyloxy-2-[4-(bromomethyl)phenyl]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5,6-dibenzoyloxy-2-[4-(bromomethyl)phenyl]pyrimidine-4-carboxylate Traditional Name: 5,6-dibenzoyloxy-2-[4-(bromomethyl)phenyl]pyrimidine-4-carboxylic acid methyl ester Formula: C27H19BrN2O6 MolecularWeight: 547.35356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC(=N1)C2=CC=C(C=C2)CBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=NC(=N1)C2=CC=C(C=C2)CBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H19BrN2O6/c1-34-27(33)21-22(35-25(31)19-8-4-2-5-9-19)24(36-26(32)20-10-6-3-7-11-20)30-23(29-21)18-14-12-17(16-28)13-15-18/h2-15H,16H2,1H3