4-[1-[2-(dimethylamino)-4-methylsulfonyl-phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[1-[2-(dimethylamino)-4-methylsulfonyl-phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-[2-(dimethylamino)-4-methylsulfonyl-phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-[2-(dimethylamino)-4-methylsulfonylphenyl]-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-[2-(dimethylamino)-4-methylsulfonylphenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-[2-(dimethylamino)-4-mesyl-phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C20H24N6O5S MolecularWeight: 460.50676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)S(=O)(=O)C)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)O

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)S(=O)(=O)C)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)O

InChI

InChI=1S/C20H24N6O5S/c1-24(2)17-10-14(32(3,29)30)4-5-16(17)26-18-15(11-23-26)19(22-12-21-18)31-13-6-8-25(9-7-13)20(27)28/h4-5,10-13H,6-9H2,1-3H3,(H,27,28)