5-[(7H-purin-6-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

Systemtic Name: 5-[(7H-purin-6-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid Openeye Name: 5-[(7H-purin-6-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid CAS Name: 5-[(7H-purin-6-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid IUPAC Name: 5-[(7H-purin-6-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid Traditional Name: 5-[(7H-purin-6-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid Formula: C14H18N6O2 MolecularWeight: 302.33172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC(C1)(N2C(=O)O)CNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CC2CCC(C1)(N2C(=O)O)CNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H18N6O2/c21-13(22)20-9-2-1-4-14(20,5-3-9)6-15-11-10-12(17-7-16-10)19-8-18-11/h7-9H,1-6H2,(H,21,22)(H2,15,16,17,18,19)