[5-(6-chloranylpurin-9-yl)-4-oxidanyl-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] benzoate

Systemtic Name: [5-(6-chloranylpurin-9-yl)-4-oxidanyl-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] benzoate Openeye Name: [5-(6-chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(6-chloro-9-purinyl)-4-hydroxy-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester IUPAC Name: [5-(6-chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(6-chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)tetrahydrofuran-3-yl] ester Formula: C36H29ClN4O5 MolecularWeight: 633.09226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4Cl)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4Cl)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H29ClN4O5/c37-32-29-33(39-22-38-32)41(23-40-29)34-30(42)31(46-35(43)24-13-5-1-6-14-24)28(45-34)21-44-36(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,22-23,28,30-31,34,42H,21H2