2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-methyl-pyrazol-3-olate

Systemtic Name: 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-methyl-pyrazol-3-olate Openeye Name: 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-methyl-pyrazol-3-olate CAS Name: 2-[4-(4-bromophenyl)-6-phenyl-2-pyrimidinyl]-5-methyl-3-pyrazololate IUPAC Name: 2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-5-methylpyrazol-3-olate Traditional Name: 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-methyl-pyrazol-3-olate Formula: C20H14BrN4O- MolecularWeight: 406.25536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)[O-])C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)[O-])C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN4O/c1-13-11-19(26)25(24-13)20-22-17(14-5-3-2-4-6-14)12-18(23-20)15-7-9-16(21)10-8-15/h2-12,26H,1H3/p-1