2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-[(1-methylsulfonylpiperidin-4-yl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-[(1-methylsulfonylpiperidin-4-yl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(3-tert-butylisoxazol-5-yl)-5-[6-[(1-methylsulfonyl-4-piperidyl)amino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(3-tert-butyl-5-isoxazolyl)-5-[6-[(1-methylsulfonyl-4-piperidinyl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-[(1-methylsulfonylpiperidin-4-yl)amino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(3-tert-butylisoxazol-5-yl)-5-[6-[(1-mesyl-4-piperidyl)amino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C22H31N7O6S MolecularWeight: 521.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCN(CC5)S(=O)(=O)C)O)O

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCN(CC5)S(=O)(=O)C)O)O

InChI

InChI=1S/C22H31N7O6S/c1-22(2,3)14-9-13(35-27-14)18-16(30)17(31)21(34-18)29-11-25-15-19(23-10-24-20(15)29)26-12-5-7-28(8-6-12)36(4,32)33/h9-12,16-18,21,30-31H,5-8H2,1-4H3,(H,23,24,26)