[(2S,4S,5R)-5-(6-ethoxypurin-9-yl)-4-fluoranyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4S,5R)-5-(6-ethoxypurin-9-yl)-4-fluoranyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4S,5R)-5-(6-ethoxypurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S,5R)-5-(6-ethoxy-9-purinyl)-4-fluoro-2-oxolanyl]methyl ester IUPAC Name: [(2S,4S,5R)-5-(6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S,5R)-5-(6-ethoxypurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methyl ester Formula: C19H19FN4O4 MolecularWeight: 386.376963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC2=C1N=CN2C3C(CC(O3)COC(=O)C4=CC=CC=C4)F

Isomeric SMILES

CCOC1=NC=NC2=C1N=CN2[C@H]3[C@H](C[C@H](O3)COC(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C19H19FN4O4/c1-2-26-17-15-16(21-10-22-17)24(11-23-15)18-14(20)8-13(28-18)9-27-19(25)12-6-4-3-5-7-12/h3-7,10-11,13-14,18H,2,8-9H2,1H3/t13-,14-,18+/m0/s1