5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12ClFN4O MolecularWeight: 354.765483

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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=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H12ClFN4O/c19-15-7-4-8-16(20)14(15)10-23-11-21-17-13(18(23)25)9-22-24(17)12-5-2-1-3-6-12/h1-9,11H,10H2