ethyl 3-[[3,4-bis(oxidanyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methoxycarbonylamino]propanoate

Systemtic Name: ethyl 3-[[3,4-bis(oxidanyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methoxycarbonylamino]propanoate Openeye Name: ethyl 3-[[3,4-dihydroxy-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxycarbonylamino]propanoate CAS Name: 3-[[[3,4-dihydroxy-5-[6-(3-oxolanylamino)-9-purinyl]-2-oxolanyl]methoxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3,4-dihydroxy-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methoxycarbonylamino]propanoate Traditional Name: 3-[[3,4-dihydroxy-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxycarbonylamino]propionic acid ethyl ester Formula: C20H28N6O8 MolecularWeight: 480.47172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOC4)O)O

Isomeric SMILES

CCOC(=O)CCNC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOC4)O)O

InChI

InChI=1S/C20H28N6O8/c1-2-32-13(27)3-5-21-20(30)33-8-12-15(28)16(29)19(34-12)26-10-24-14-17(22-9-23-18(14)26)25-11-4-6-31-7-11/h9-12,15-16,19,28-29H,2-8H2,1H3,(H,21,30)(H,22,23,25)