6-[(4-chloranyl-3-fluoranyl-phenyl)methylamino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-chloranyl-3-fluoranyl-phenyl)methylamino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-chloro-3-fluoro-phenyl)methylamino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-chloro-3-fluorophenyl)methylamino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-chloro-3-fluorophenyl)methylamino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-chloro-3-fluoro-benzyl)amino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C12H9ClFN5O MolecularWeight: 293.684163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=CNNC3=N2)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=CNNC3=N2)F)Cl

InChI

InChI=1S/C12H9ClFN5O/c13-8-2-1-6(3-9(8)14)4-15-12-17-10-7(5-16-19-10)11(20)18-12/h1-3,5H,4H2,(H3,15,16,17,18,19,20)