[(2R,3S,5R)-3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3,4-diacetoxy-5-(6-amino-8-bromo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3,4-diacetyloxy-5-(6-amino-8-bromo-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3,4-diacetoxy-5-(6-amino-8-bromo-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H18BrN5O7 MolecularWeight: 472.24742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)N=C2Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C3=C(C(=NC=N3)N)N=C2Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H18BrN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-14-10(21-16(22)17)13(18)19-5-20-14/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,20)/t9-,11+,12?,15-/m1/s1