4-chloranyl-1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-chloranyl-1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-chloro-1-(2-fluoro-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-chloro-1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-chloro-1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-chloro-1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidine Formula: C12H8ClFN4O2S MolecularWeight: 326.733923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)Cl)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)Cl)F

InChI

InChI=1S/C12H8ClFN4O2S/c1-21(19,20)7-2-3-10(9(14)4-7)18-12-8(5-17-18)11(13)15-6-16-12/h2-6H,1H3