[(2R,3R,4R,5S)-5-(4-acetamido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromanyl-2-[(2,4,4-trimethyl-5-oxidanylidene-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5S)-5-(4-acetamido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromanyl-2-[(2,4,4-trimethyl-5-oxidanylidene-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5S)-5-(4-acetamido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5S)-5-(4-acetamido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5S)-5-(4-acetamido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5S)-5-(4-acetamido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-[(5-keto-2,4,4-trimethyl-1,3-dioxolan-2-yl)oxymethyl]tetrahydrofuran-3-yl] ester Formula: C21H25BrN4O8 MolecularWeight: 541.3492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=NC2=C1NC=C2C3C(C(C(O3)COC4(OC(=O)C(O4)(C)C)C)OC(=O)C)Br

Isomeric SMILES

CC(=O)NC1=NC=NC2=C1NC=C2[C@H]3[C@H]([C@@H]([C@H](O3)COC4(OC(=O)C(O4)(C)C)C)OC(=O)C)Br

InChI

InChI=1S/C21H25BrN4O8/c1-9(27)26-18-15-14(24-8-25-18)11(6-23-15)16-13(22)17(31-10(2)28)12(32-16)7-30-21(5)33-19(29)20(3,4)34-21/h6,8,12-13,16-17,23H,7H2,1-5H3,(H,24,25,26,27)/t12-,13-,16+,17-,21?/m1/s1