2-azanyl-9-[5-(hydroxymethyl)-8-oxidanyl-4,7-dioxabicyclo[3.2.1]octan-3-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-8-oxidanyl-4,7-dioxabicyclo[3.2.1]octan-3-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[8-hydroxy-5-(hydroxymethyl)-4,7-dioxabicyclo[3.2.1]octan-3-yl]-3H-purin-6-one CAS Name: 2-amino-9-[8-hydroxy-5-(hydroxymethyl)-4,7-dioxabicyclo[3.2.1]octan-3-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[8-hydroxy-5-(hydroxymethyl)-4,7-dioxabicyclo[3.2.1]octan-3-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(8-hydroxy-5-methylol-4,7-dioxabicyclo[3.2.1]octan-3-yl)-3H-purin-6-one Formula: C12H15N5O5 MolecularWeight: 309.278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(CO2)(OC1N3C=NC4=C3NC(=NC4=O)N)CO)O

Isomeric SMILES

C1C2C(C(CO2)(OC1N3C=NC4=C3NC(=NC4=O)N)CO)O

InChI

InChI=1S/C12H15N5O5/c13-11-15-9-7(10(20)16-11)14-4-17(9)6-1-5-8(19)12(2-18,22-6)3-21-5/h4-6,8,18-19H,1-3H2,(H3,13,15,16,20)