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

Systemtic Name: 5-(4-bromophenyl)-1-tert-butyl-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-1-tert-butyl-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-1-tert-butyl-6-(2-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-1-tert-butyl-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-1-tert-butyl-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H18BrFN4O MolecularWeight: 441.296223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C(=N2)C3=CC=CC=C3F)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C(=N2)C3=CC=CC=C3F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrFN4O/c1-21(2,3)27-19-16(12-24-27)20(28)26(14-10-8-13(22)9-11-14)18(25-19)15-6-4-5-7-17(15)23/h4-12H,1-3H3