1-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-pyrrolidin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-pyrrolidin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-fluoro-4-methylsulfonyl-phenyl)-N-pyrrolidin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-fluoro-4-methylsulfonylphenyl)-N-(3-pyrrolidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-fluoro-4-methylsulfonylphenyl)-N-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-pyrrolidin-3-yl-amine Formula: C16H17FN6O2S MolecularWeight: 376.408583

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)NC4CCNC4)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCNC4)F

InChI

InChI=1S/C16H17FN6O2S/c1-26(24,25)11-2-3-14(13(17)6-11)23-16-12(8-21-23)15(19-9-20-16)22-10-4-5-18-7-10/h2-3,6,8-10,18H,4-5,7H2,1H3,(H,19,20,22)