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

Systemtic Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[2-chloranyl-6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(3-tert-butylisoxazol-5-yl)-5-[2-chloro-6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(3-tert-butyl-5-isoxazolyl)-5-[2-chloro-6-(4-oxanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[2-chloro-6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(3-tert-butylisoxazol-5-yl)-5-[2-chloro-6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H27ClN6O5 MolecularWeight: 478.92928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN6O5/c1-21(2,3)12-8-11(33-27-12)16-14(29)15(30)19(32-16)28-9-23-13-17(25-20(22)26-18(13)28)24-10-4-6-31-7-5-10/h8-10,14-16,19,29-30H,4-7H2,1-3H3,(H,24,25,26)