N-(3-fluorophenyl)-1-methyl-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-fluorophenyl)-1-methyl-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-fluorophenyl)-1-methyl-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-fluorophenyl)-1-methyl-6-methylsulfonyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-fluorophenyl)-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-fluorophenyl)-(6-mesyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C13H12FN5O2S MolecularWeight: 321.330083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)S(=O)(=O)C)NC3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)S(=O)(=O)C)NC3=CC(=CC=C3)F

InChI

InChI=1S/C13H12FN5O2S/c1-19-12-10(7-15-19)11(17-13(18-12)22(2,20)21)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,17,18)