5-(4-tert-butylphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-tert-butylphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-6-(2-fluorophenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(4-tert-butylphenyl)-6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H23FN4O MolecularWeight: 438.496123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C27H23FN4O/c1-27(2,3)18-13-15-19(16-14-18)31-24(21-11-7-8-12-23(21)28)30-25-22(26(31)33)17-29-32(25)20-9-5-4-6-10-20/h4-17H,1-3H3