[[5-(6-aminopurin-9-yl)-4-fluoranyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] benzoate

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-fluoranyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] benzoate Openeye Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] benzoate CAS Name: benzoic acid [[5-(6-aminopurin-9-yl)-4-fluoro-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] ester IUPAC Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate Traditional Name: benzoic acid [(5-adenin-9-yl-4-fluoro-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] ester Formula: C17H17FN5O8P MolecularWeight: 469.317744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)(O)F)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)(O)F)O

InChI

InChI=1S/C17H17FN5O8P/c18-17(26)12(24)10(6-29-32(27,28)31-15(25)9-4-2-1-3-5-9)30-16(17)23-8-22-11-13(19)20-7-21-14(11)23/h1-5,7-8,10,12,16,24,26H,6H2,(H,27,28)(H2,19,20,21)