2-(4-bromophenyl)-5-methyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 2-(4-bromophenyl)-5-methyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-benzyl-2-(4-bromophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-(4-bromophenyl)-5-methyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-benzyl-2-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-benzyl-2-(4-bromophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C20H15BrN3O- MolecularWeight: 393.2566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=NN2C(=C1CC3=CC=CC=C3)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC2=CC(=NN2C(=C1CC3=CC=CC=C3)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O/c1-13-17(11-14-5-3-2-4-6-14)20(25)24-19(22-13)12-18(23-24)15-7-9-16(21)10-8-15/h2-10,12,25H,11H2,1H3/p-1