methyl-[3-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-oxidanylidene-propyl]carbamic acid

Systemtic Name: methyl-[3-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-oxidanylidene-propyl]carbamic acid Openeye Name: methyl-[3-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-piperidyl]-3-oxo-propyl]carbamic acid CAS Name: methyl-[3-[4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-3-oxopropyl]carbamic acid IUPAC Name: methyl-[3-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-oxopropyl]carbamic acid Traditional Name: [3-keto-3-[4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidino]propyl]-methyl-carbamic acid Formula: C22H26N6O6S MolecularWeight: 502.54344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CN(CCC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H26N6O6S/c1-26(22(30)31)10-9-19(29)27-11-7-16(8-12-27)34-21-18-13-25-28(20(18)23-14-24-21)15-3-5-17(6-4-15)35(2,32)33/h3-6,13-14,16H,7-12H2,1-2H3,(H,30,31)