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

Systemtic Name: 1-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperidin-4-yl-propan-1-amine Openeye Name: 1-[1-(2-fluoro-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-(4-piperidyl)propan-1-amine CAS Name: 1-[1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-(4-piperidinyl)-1-propanamine IUPAC Name: 1-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperidin-4-ylpropan-1-amine Traditional Name: [1-[1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-(4-piperidyl)propyl]amine Formula: C20H25FN6O2S MolecularWeight: 432.514903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCNCC1)(C2=C3C=NN(C3=NC=N2)C4=C(C=C(C=C4)S(=O)(=O)C)F)N

Isomeric SMILES

CCC(C1CCNCC1)(C2=C3C=NN(C3=NC=N2)C4=C(C=C(C=C4)S(=O)(=O)C)F)N

InChI

InChI=1S/C20H25FN6O2S/c1-3-20(22,13-6-8-23-9-7-13)18-15-11-26-27(19(15)25-12-24-18)17-5-4-14(10-16(17)21)30(2,28)29/h4-5,10-13,23H,3,6-9,22H2,1-2H3