[(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-bromanyl-5-[(2,4,4-trimethyl-5-oxidanylidene-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-bromanyl-5-[(2,4,4-trimethyl-5-oxidanylidene-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-bromo-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-bromo-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-bromo-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4S,5R)-2-adenin-9-yl-4-bromo-5-[(5-keto-2,4,4-trimethyl-1,3-dioxolan-2-yl)oxymethyl]tetrahydrofuran-3-yl] ester Formula: C18H22BrN5O7 MolecularWeight: 500.30058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC4(OC(=O)C(O4)(C)C)C)Br

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COC4(OC(=O)C(O4)(C)C)C)Br

InChI

InChI=1S/C18H22BrN5O7/c1-8(25)28-12-10(19)9(5-27-18(4)30-16(26)17(2,3)31-18)29-15(12)24-7-23-11-13(20)21-6-22-14(11)24/h6-7,9-10,12,15H,5H2,1-4H3,(H2,20,21,22)/t9-,10+,12-,15-,18?/m1/s1