4-[3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3,6-dimethyl-1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-(4-mesylphenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)OC3CCN(CC3)C(=O)O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)OC3CCN(CC3)C(=O)O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H23N5O5S/c1-12-17-18(25(23-12)14-4-6-16(7-5-14)31(3,28)29)21-13(2)22-19(17)30-15-8-10-24(11-9-15)20(26)27/h4-7,15H,8-11H2,1-3H3,(H,26,27)