5-(4-bromophenyl)-6-(4-tert-butylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-(4-tert-butylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-(4-tert-butylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-(4-tert-butylphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-(4-tert-butylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-(4-tert-butylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H23BrN4O MolecularWeight: 499.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H23BrN4O/c1-27(2,3)19-11-9-18(10-12-19)24-30-25-23(17-29-32(25)22-7-5-4-6-8-22)26(33)31(24)21-15-13-20(28)14-16-21/h4-17H,1-3H3