5-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(4-bromo-2-fluoro-phenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(4-bromo-2-fluorophenyl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(4-bromo-2-fluorophenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromo-2-fluoro-benzyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H11BrFN5O3 MolecularWeight: 444.214043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C18H11BrFN5O3/c19-12-6-5-11(14(20)7-12)9-23-10-21-17-13(18(23)26)8-22-24(17)15-3-1-2-4-16(15)25(27)28/h1-8,10H,9H2