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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-2-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)N2C=C3C(=N2)N=CN(C3=O)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C3C(=N2)N=CN(C3=O)CC4=C(C=CC=C4Cl)F

InChI

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