3-[[4-(4-bromophenyl)phenyl]-pyrimidin-2-yl-methyl]chromene-2,4-dione

Systemtic Name: 3-[[4-(4-bromophenyl)phenyl]-pyrimidin-2-yl-methyl]chromene-2,4-dione Openeye Name: 3-[[4-(4-bromophenyl)phenyl]-pyrimidin-2-yl-methyl]chromane-2,4-dione CAS Name: 3-[[4-(4-bromophenyl)phenyl]-(2-pyrimidinyl)methyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[[4-(4-bromophenyl)phenyl]-pyrimidin-2-ylmethyl]chromene-2,4-dione Traditional Name: 3-[[4-(4-bromophenyl)phenyl]-(2-pyrimidyl)methyl]chroman-2,4-quinone Formula: C26H17BrN2O3 MolecularWeight: 485.32878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Br)C5=NC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Br)C5=NC=CC=N5

InChI

InChI=1S/C26H17BrN2O3/c27-19-12-10-17(11-13-19)16-6-8-18(9-7-16)22(25-28-14-3-15-29-25)23-24(30)20-4-1-2-5-21(20)32-26(23)31/h1-15,22-23H