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

Systemtic Name: [5-(6-chloranylpurin-9-yl)-4-(4-sulfonylimidazol-2-yl)oxy-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] benzoate Openeye Name: [5-(6-chloropurin-9-yl)-4-(4-sulfonylimidazol-2-yl)oxy-2-(trityloxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(6-chloro-9-purinyl)-4-[(4-sulfonyl-2-imidazolyl)oxy]-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester IUPAC Name: [5-(6-chloropurin-9-yl)-4-(4-sulfonylimidazol-2-yl)oxy-2-(trityloxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(6-chloropurin-9-yl)-4-(4-sulfonylimidazol-2-yl)oxy-2-(trityloxymethyl)tetrahydrofuran-3-yl] ester Formula: C39H29ClN6O7S MolecularWeight: 761.20156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(OC(C2OC3=NC(=S(=O)=O)C=N3)N4C=NC5=C4N=CN=C5Cl)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(OC(C2OC3=NC(=S(=O)=O)C=N3)N4C=NC5=C4N=CN=C5Cl)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C39H29ClN6O7S/c40-34-31-35(43-23-42-34)46(24-44-31)36-33(53-38-41-21-30(45-38)54(48)49)32(52-37(47)25-13-5-1-6-14-25)29(51-36)22-50-39(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,23-24,29,32-33,36H,22H2