[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[bis(oxidanyl)phosphinothioyloxymethyl]-4-oxidanyl-oxolan-3-yl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[bis(oxidanyl)phosphinothioyloxymethyl]-4-oxidanyl-oxolan-3-yl] 4-(phenylcarbonyl)benzoate Openeye Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxyoxolan-3-yl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [(2R,3R,4R,5R)-2-adenin-9-yl-5-(dihydroxythiophosphoryloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C24H22N5O8PS MolecularWeight: 571.498941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3C(C(OC3N4C=NC5=C4N=CN=C5N)COP(=S)(O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C4N=CN=C5N)COP(=S)(O)O)O

InChI

InChI=1S/C24H22N5O8PS/c25-21-17-22(27-11-26-21)29(12-28-17)23-20(19(31)16(36-23)10-35-38(33,34)39)37-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H2,25,26,27)(H2,33,34,39)/t16-,19-,20-,23-/m1/s1