ethyl 3-[[3,4-bis(oxidanyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methoxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: ethyl 3-[[3,4-bis(oxidanyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methoxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: ethyl 3-[[3,4-dihydroxy-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: 3-[[[3,4-dihydroxy-5-[6-(3-oxolanylamino)-9-purinyl]-2-oxolanyl]methoxy-oxomethyl]amino]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3,4-dihydroxy-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methoxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: 3-[[3,4-dihydroxy-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester Formula: C25H32N6O8 MolecularWeight: 544.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC(C1NC(=O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5NC6CCOC6)O)O)C=C2

Isomeric SMILES

CCOC(=O)C1C2CC(C1NC(=O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5NC6CCOC6)O)O)C=C2

InChI

InChI=1S/C25H32N6O8/c1-2-37-24(34)16-12-3-4-13(7-12)17(16)30-25(35)38-9-15-19(32)20(33)23(39-15)31-11-28-18-21(26-10-27-22(18)31)29-14-5-6-36-8-14/h3-4,10-17,19-20,23,32-33H,2,5-9H2,1H3,(H,30,35)(H,26,27,29)