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

Systemtic Name: 3-azanyl-4-oxidanyl-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 3-amino-4-hydroxy-5-[6-[2-(3-pyridyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[2-(3-pyridinyl)ethylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-4-hydroxy-5-[6-[2-(3-pyridyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C17H19N7O4 MolecularWeight: 385.37726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CN=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

InChI

InChI=1S/C17H19N7O4/c18-10-12(25)16(28-13(10)17(26)27)24-8-23-11-14(21-7-22-15(11)24)20-5-3-9-2-1-4-19-6-9/h1-2,4,6-8,10,12-13,16,25H,3,5,18H2,(H,26,27)(H,20,21,22)