3-(ethylamino)-2-(4-fluorophenyl)-4-oxidanyl-3-purin-9-yl-oxolane-2-carboxylic acid

Systemtic Name: 3-(ethylamino)-2-(4-fluorophenyl)-4-oxidanyl-3-purin-9-yl-oxolane-2-carboxylic acid Openeye Name: 3-(ethylamino)-2-(4-fluorophenyl)-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid CAS Name: 3-(ethylamino)-2-(4-fluorophenyl)-4-hydroxy-3-(9-purinyl)-2-oxolanecarboxylic acid IUPAC Name: 3-(ethylamino)-2-(4-fluorophenyl)-4-hydroxy-3-purin-9-yloxolane-2-carboxylic acid Traditional Name: 3-(ethylamino)-2-(4-fluorophenyl)-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid Formula: C18H18FN5O4 MolecularWeight: 387.365023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN5O4/c1-2-23-18(24-10-22-13-7-20-9-21-15(13)24)14(25)8-28-17(18,16(26)27)11-3-5-12(19)6-4-11/h3-7,9-10,14,23,25H,2,8H2,1H3,(H,26,27)