[4,5-diacetyloxy-6-[8-bromanyl-1,3-diethyl-2,6-bis(oxidanylidene)purin-9-yl]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[8-bromanyl-1,3-diethyl-2,6-bis(oxidanylidene)purin-9-yl]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(8-bromo-1,3-diethyl-2,6-dioxo-purin-9-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-(8-bromo-1,3-diethyl-2,6-dioxo-9-purinyl)-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-(8-bromo-1,3-diethyl-2,6-dioxopurin-9-yl)oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-(8-bromo-1,3-diethyl-2,6-diketo-purin-9-yl)tetrahydropyran-3-yl] ester Formula: C20H25BrN4O9 MolecularWeight: 545.3379

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N=C(N2C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)Br

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N=C(N2C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)Br

InChI

InChI=1S/C20H25BrN4O9/c1-6-23-16-13(17(29)24(7-2)20(23)30)22-19(21)25(16)18-15(34-11(5)28)14(33-10(4)27)12(8-31-18)32-9(3)26/h12,14-15,18H,6-8H2,1-5H3