2-azanyl-9-[4-(methylsulfonylmethyl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-(methylsulfonylmethyl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[7-benzyloxy-4-(methylsulfonylmethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-(methylsulfonylmethyl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-(methylsulfonylmethyl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[7-benzoxy-4-(mesylmethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-3H-purin-6-one Formula: C19H21N5O6S MolecularWeight: 447.46494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC12COC(C1OCC3=CC=CC=C3)C(O2)N4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

CS(=O)(=O)CC12COC(C1OCC3=CC=CC=C3)C(O2)N4C=NC5=C4NC(=NC5=O)N

InChI

InChI=1S/C19H21N5O6S/c1-31(26,27)9-19-8-29-13(14(19)28-7-11-5-3-2-4-6-11)17(30-19)24-10-21-12-15(24)22-18(20)23-16(12)25/h2-6,10,13-14,17H,7-9H2,1H3,(H3,20,22,23,25)