3-azanyl-5-[6-[2-(4-fluoranyl-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[6-[2-(4-fluoranyl-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[2-(4-fluoro-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[2-(4-fluoro-3-methoxyphenyl)ethylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[2-(4-fluoro-3-methoxyphenyl)ethylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[2-(4-fluoro-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H21FN6O5 MolecularWeight: 432.405643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)F

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)F

InChI

InChI=1S/C19H21FN6O5/c1-30-11-6-9(2-3-10(11)20)4-5-22-16-13-17(24-7-23-16)26(8-25-13)18-14(27)12(21)15(31-18)19(28)29/h2-3,6-8,12,14-15,18,27H,4-5,21H2,1H3,(H,28,29)(H,22,23,24)