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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C12H8ClFN4O MolecularWeight: 278.669523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C=C3C(=NC=NC3=O)N2)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=C3C(=NC=NC3=O)N2)F

InChI

InChI=1S/C12H8ClFN4O/c13-9-2-1-3-10(14)7(9)4-18-5-8-11(17-18)15-6-16-12(8)19/h1-3,5-6H,4H2,(H,15,16,17,19)