1-(4-methylsulfonylphenyl)-4-[1-(phenylmethyl)azetidin-3-yl]oxy-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-methylsulfonylphenyl)-4-[1-(phenylmethyl)azetidin-3-yl]oxy-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1-benzylazetidin-3-yl)oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-methylsulfonylphenyl)-4-[[1-(phenylmethyl)-3-azetidinyl]oxy]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1-benzylazetidin-3-yl)oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1-benzylazetidin-3-yl)oxy-1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidine Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CN(C4)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CN(C4)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3S/c1-31(28,29)19-9-7-17(8-10-19)27-21-20(11-25-27)22(24-15-23-21)30-18-13-26(14-18)12-16-5-3-2-4-6-16/h2-11,15,18H,12-14H2,1H3