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

Systemtic Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(3-tert-butylisoxazol-5-yl)-5-[6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(3-tert-butyl-5-isoxazolyl)-5-[6-(4-oxanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(3-tert-butylisoxazol-5-yl)-5-[6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H28N6O5 MolecularWeight: 444.48422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCOCC5)O)O

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCOCC5)O)O

InChI

InChI=1S/C21H28N6O5/c1-21(2,3)13-8-12(32-26-13)17-15(28)16(29)20(31-17)27-10-24-14-18(22-9-23-19(14)27)25-11-4-6-30-7-5-11/h8-11,15-17,20,28-29H,4-7H2,1-3H3,(H,22,23,25)