[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate

Systemtic Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate Openeye Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate CAS Name: phosphoric acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-(hydroxymethyl)-3-oxolanyl] (2-chlorophenyl) 2-cyanoethyl ester IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate Traditional Name: phosphoric acid [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl] (2-chlorophenyl) 2-cyanoethyl ester Formula: C26H24ClN6O7P MolecularWeight: 598.931521

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)OP(=O)(OCCC#N)OC5=CC=CC=C5Cl

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)OP(=O)(OCCC#N)OC5=CC=CC=C5Cl

InChI

InChI=1S/C26H24ClN6O7P/c27-18-9-4-5-10-19(18)39-41(36,37-12-6-11-28)40-20-13-22(38-21(20)14-34)33-16-31-23-24(29-15-30-25(23)33)32-26(35)17-7-2-1-3-8-17/h1-5,7-10,15-16,20-22,34H,6,12-14H2,(H,29,30,32,35)/t20-,21+,22+,41?/m0/s1