3-(ethylamino)-2-(4-fluoranyl-3-methoxy-phenyl)-4-oxidanyl-3-purin-9-yl-oxolane-2-carboxylic acid

Systemtic Name: 3-(ethylamino)-2-(4-fluoranyl-3-methoxy-phenyl)-4-oxidanyl-3-purin-9-yl-oxolane-2-carboxylic acid Openeye Name: 3-(ethylamino)-2-(4-fluoro-3-methoxy-phenyl)-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid CAS Name: 3-(ethylamino)-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-3-(9-purinyl)-2-oxolanecarboxylic acid IUPAC Name: 3-(ethylamino)-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-3-purin-9-yloxolane-2-carboxylic acid Traditional Name: 3-(ethylamino)-2-(4-fluoro-3-methoxy-phenyl)-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid Formula: C19H20FN5O5 MolecularWeight: 417.391003

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(C(COC1(C2=CC(=C(C=C2)F)OC)C(=O)O)O)N3C=NC4=CN=CN=C43

Isomeric SMILES

CCNC1(C(COC1(C2=CC(=C(C=C2)F)OC)C(=O)O)O)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C19H20FN5O5/c1-3-24-19(25-10-23-13-7-21-9-22-16(13)25)15(26)8-30-18(19,17(27)28)11-4-5-12(20)14(6-11)29-2/h4-7,9-10,15,24,26H,3,8H2,1-2H3,(H,27,28)