[5-(3-acetyloxy-3-methyl-1-oxidanyl-2-oxidanylidene-butyl)-2-(6-aminopurin-9-yl)-4-bromanyl-3,4-bis(oxidanyl)oxolan-3-yl] ethanoate

Systemtic Name: [5-(3-acetyloxy-3-methyl-1-oxidanyl-2-oxidanylidene-butyl)-2-(6-aminopurin-9-yl)-4-bromanyl-3,4-bis(oxidanyl)oxolan-3-yl] ethanoate Openeye Name: [5-(3-acetoxy-1-hydroxy-3-methyl-2-oxo-butyl)-2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxy-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-(3-acetyloxy-1-hydroxy-3-methyl-2-oxobutyl)-2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxy-3-oxolanyl] ester IUPAC Name: [5-(3-acetyloxy-1-hydroxy-3-methyl-2-oxobutyl)-2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxyoxolan-3-yl] acetate Traditional Name: acetic acid [5-(3-acetoxy-1-hydroxy-2-keto-3-methyl-butyl)-2-adenin-9-yl-4-bromo-3,4-dihydroxy-tetrahydrofuran-3-yl] ester Formula: C18H22BrN5O9 MolecularWeight: 532.29938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(OC(C1(O)Br)C(C(=O)C(C)(C)OC(=O)C)O)N2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(=O)OC1(C(OC(C1(O)Br)C(C(=O)C(C)(C)OC(=O)C)O)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C18H22BrN5O9/c1-7(25)32-16(3,4)11(28)10(27)12-17(19,29)18(30,33-8(2)26)15(31-12)24-6-23-9-13(20)21-5-22-14(9)24/h5-6,10,12,15,27,29-30H,1-4H3,(H2,20,21,22)