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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chloro-4-fluoro-benzyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H10ClFN4O MolecularWeight: 292.696103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C13H10ClFN4O/c1-18-12-10(5-17-18)13(20)19(7-16-12)6-8-2-3-9(15)4-11(8)14/h2-5,7H,6H2,1H3