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

Systemtic Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(cyclopentylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(3-tert-butylisoxazol-5-yl)-5-[6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(3-tert-butyl-5-isoxazolyl)-5-[6-(cyclopentylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(cyclopentylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(3-tert-butylisoxazol-5-yl)-5-[6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCCC5)O)O

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCCC5)O)O

InChI

InChI=1S/C21H28N6O4/c1-21(2,3)13-8-12(31-26-13)17-15(28)16(29)20(30-17)27-10-24-14-18(22-9-23-19(14)27)25-11-6-4-5-7-11/h8-11,15-17,20,28-29H,4-7H2,1-3H3,(H,22,23,25)