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

Systemtic Name: tert-butyl 4-[[9-(6-methylsulfonylpyridin-3-yl)-7,8-dihydropurin-6-yl]oxy]piperidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O5S/c1-21(2,3)32-20(28)26-9-7-15(8-10-26)31-19-17-18(23-12-24-19)27(13-25-17)14-5-6-16(22-11-14)33(4,29)30/h5-6,11-12,15,25H,7-10,13H2,1-4H3