3-(5-fluoranyl-2-methoxy-phenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 3-(5-fluoranyl-2-methoxy-phenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 3-(5-fluoro-2-methoxy-phenyl)-N-(1-methylsulfonyl-4-piperidyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 3-(5-fluoro-2-methoxyphenyl)-N-(1-methylsulfonyl-4-piperidinyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine IUPAC Name: 3-(5-fluoro-2-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: [3-(5-fluoro-2-methoxy-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-(1-mesyl-4-piperidyl)amine Formula: C18H21FN6O3S MolecularWeight: 420.461143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C2=C3C=NC(=NC3=NN2)NC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=C3C=NC(=NC3=NN2)NC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C18H21FN6O3S/c1-28-15-4-3-11(19)9-13(15)16-14-10-20-18(22-17(14)24-23-16)21-12-5-7-25(8-6-12)29(2,26)27/h3-4,9-10,12H,5-8H2,1-2H3,(H2,20,21,22,23,24)