4-oxidanyl-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid

Systemtic Name: 4-oxidanyl-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 4-hydroxy-5-[6-[2-(3-pyridyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-5-[6-[2-(3-pyridinyl)ethylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 4-hydroxy-5-[6-[2-(3-pyridyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C17H18N6O4 MolecularWeight: 370.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NCCC4=CN=CC=C4)O

Isomeric SMILES

C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NCCC4=CN=CC=C4)O

InChI

InChI=1S/C17H18N6O4/c24-11-6-12(17(25)26)27-16(11)23-9-22-13-14(20-8-21-15(13)23)19-5-3-10-2-1-4-18-7-10/h1-2,4,7-9,11-12,16,24H,3,5-6H2,(H,25,26)(H,19,20,21)