[5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-(ethylcarbamoyl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-(ethylcarbamoyl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [4-benzoyloxy-5-(6-chloro-2-iodo-purin-9-yl)-2-(ethylcarbamoyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [4-benzoyloxy-5-(6-chloro-2-iodo-9-purinyl)-2-(ethylcarbamoyl)-3-oxolanyl] ester IUPAC Name: [4-benzoyloxy-5-(6-chloro-2-iodopurin-9-yl)-2-(ethylcarbamoyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [4-benzoyloxy-5-(6-chloro-2-iodo-purin-9-yl)-2-(ethylcarbamoyl)tetrahydrofuran-3-yl] ester Formula: C26H21ClIN5O6 MolecularWeight: 661.83231

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClIN5O6/c1-2-29-22(34)18-17(38-24(35)14-9-5-3-6-10-14)19(39-25(36)15-11-7-4-8-12-15)23(37-18)33-13-30-16-20(27)31-26(28)32-21(16)33/h3-13,17-19,23H,2H2,1H3,(H,29,34)