[1-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)-1H-pyrimidin-6-yl]-3-bromanyl-2-phenyl-propan-2-yl] benzoate

Systemtic Name: [1-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)-1H-pyrimidin-6-yl]-3-bromanyl-2-phenyl-propan-2-yl] benzoate Openeye Name: [1-[(3-benzoyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-bromo-1-phenyl-ethyl] benzoate CAS Name: benzoic acid [1-(3-benzoyl-2,4-dioxo-1H-pyrimidin-6-yl)-3-bromo-2-phenylpropan-2-yl] ester IUPAC Name: [1-(3-benzoyl-2,4-dioxo-1H-pyrimidin-6-yl)-3-bromo-2-phenylpropan-2-yl] benzoate Traditional Name: benzoic acid [1-[(3-benzoyl-2,4-diketo-1H-pyrimidin-6-yl)methyl]-2-bromo-1-phenyl-ethyl] ester Formula: C27H21BrN2O5 MolecularWeight: 533.37004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=O)C=C(NC2=O)CC(CBr)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=O)C=C(NC2=O)CC(CBr)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H21BrN2O5/c28-18-27(21-14-8-3-9-15-21,35-25(33)20-12-6-2-7-13-20)17-22-16-23(31)30(26(34)29-22)24(32)19-10-4-1-5-11-19/h1-16H,17-18H2,(H,29,34)