6-chloranyl-9-[(1S,2S,4R,5R)-2-[nitro(phenylsulfonyl)methyl]-6-oxabicyclo[3.1.0]hexan-4-yl]purine

Systemtic Name: 6-chloranyl-9-[(1S,2S,4R,5R)-2-[nitro(phenylsulfonyl)methyl]-6-oxabicyclo[3.1.0]hexan-4-yl]purine Openeye Name: 9-[(1S,2S,4R,5R)-2-[benzenesulfonyl(nitro)methyl]-6-oxabicyclo[3.1.0]hexan-4-yl]-6-chloro-purine CAS Name: 9-[(1S,2S,4R,5R)-2-[benzenesulfonyl(nitro)methyl]-6-oxabicyclo[3.1.0]hexan-4-yl]-6-chloropurine IUPAC Name: 9-[(1S,2S,4R,5R)-2-[benzenesulfonyl(nitro)methyl]-6-oxabicyclo[3.1.0]hexan-4-yl]-6-chloropurine Traditional Name: 9-[(1S,2S,4R,5R)-2-[besyl(nitro)methyl]-6-oxabicyclo[3.1.0]hexan-4-yl]-6-chloro-purine Formula: C17H14ClN5O5S MolecularWeight: 435.84156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(C1N3C=NC4=C3N=CN=C4Cl)O2)C([N+](=O)[O-])S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@H]2[C@@H]([C@@H]1N3C=NC4=C3N=CN=C4Cl)O2)C([N+](=O)[O-])S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C17H14ClN5O5S/c18-15-12-16(20-7-19-15)22(8-21-12)11-6-10(13-14(11)28-13)17(23(24)25)29(26,27)9-4-2-1-3-5-9/h1-5,7-8,10-11,13-14,17H,6H2/t10-,11+,13-,14+,17?/m0/s1