2-methylpropyl 4-[[9-(6-methylsulfonylpyridin-3-yl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[[9-(6-methylsulfonylpyridin-3-yl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate Openeye Name: isobutyl 4-[[9-(6-methylsulfonyl-3-pyridyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate CAS Name: 4-[[9-(6-methylsulfonyl-3-pyridinyl)-7,8-dihydropurin-6-yl]oxy]-1-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[9-(6-methylsulfonylpyridin-3-yl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate Traditional Name: 4-[[9-(6-mesyl-3-pyridyl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylic acid isobutyl ester Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCC(CC1)OC2=NC=NC3=C2NCN3C4=CN=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)COC(=O)N1CCC(CC1)OC2=NC=NC3=C2NCN3C4=CN=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H28N6O5S/c1-14(2)11-31-21(28)26-8-6-16(7-9-26)32-20-18-19(23-12-24-20)27(13-25-18)15-4-5-17(22-10-15)33(3,29)30/h4-5,10,12,14,16,25H,6-9,11,13H2,1-3H3