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

Systemtic Name: 5-(4-butoxyphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-butoxyphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-butoxyphenyl)-6-(2-fluorophenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(4-butoxyphenyl)-6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-butoxyphenyl)-6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H23FN4O2 MolecularWeight: 454.495523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C27H23FN4O2/c1-2-3-17-34-21-15-13-19(14-16-21)31-25(22-11-7-8-12-24(22)28)30-26-23(27(31)33)18-29-32(26)20-9-5-4-6-10-20/h4-16,18H,2-3,17H2,1H3