(E)-7-[4-(4-bromophenyl)-6-methyl-2-phenyl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: (E)-7-[4-(4-bromophenyl)-6-methyl-2-phenyl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: (E)-7-[4-(4-bromophenyl)-6-methyl-2-phenyl-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: (E)-7-[4-(4-bromophenyl)-6-methyl-2-phenyl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate IUPAC Name: (E)-7-[4-(4-bromophenyl)-6-methyl-2-phenylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: (E)-7-[4-(4-bromophenyl)-6-methyl-2-phenyl-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate Formula: C24H22BrN2O4- MolecularWeight: 482.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1/C=C/C(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C24H23BrN2O4/c1-15-21(12-11-19(28)13-20(29)14-22(30)31)23(16-7-9-18(25)10-8-16)27-24(26-15)17-5-3-2-4-6-17/h2-12,19-20,28-29H,13-14H2,1H3,(H,30,31)/p-1/b12-11+