[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-(bromomethyl)benzoate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-(bromomethyl)benzoate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-(bromomethyl)benzoate CAS Name: 4-(bromomethyl)benzoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(bromomethyl)benzoate Traditional Name: 4-(bromomethyl)benzoic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H18BrN5O5 MolecularWeight: 464.27002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CBr)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC(=CC=C1CBr)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C18H18BrN5O5/c19-5-9-1-3-10(4-2-9)18(27)28-6-11-13(25)14(26)17(29-11)24-8-23-12-15(20)21-7-22-16(12)24/h1-4,7-8,11,13-14,17,25-26H,5-6H2,(H2,20,21,22)/t11-,13-,14-,17-/m1/s1