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

Systemtic Name: [5-[2-chloranyl-6-(methoxyamino)purin-9-yl]-2-ethenyl-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [4-benzoyloxy-5-[2-chloro-6-(methoxyamino)purin-9-yl]-2-vinyl-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [4-benzoyloxy-5-[2-chloro-6-(methoxyamino)-9-purinyl]-2-ethenyl-3-oxolanyl] ester IUPAC Name: [4-benzoyloxy-5-[2-chloro-6-(methoxyamino)purin-9-yl]-2-ethenyloxolan-3-yl] benzoate Traditional Name: benzoic acid [4-benzoyloxy-5-[2-chloro-6-(methoxyamino)purin-9-yl]-2-vinyl-tetrahydrofuran-3-yl] ester Formula: C26H22ClN5O6 MolecularWeight: 535.93578

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Descriptors Computed from Structure

Canonical SMILES:

CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C=C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C=C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C26H22ClN5O6/c1-3-17-19(37-24(33)15-10-6-4-7-11-15)20(38-25(34)16-12-8-5-9-13-16)23(36-17)32-14-28-18-21(31-35-2)29-26(27)30-22(18)32/h3-14,17,19-20,23H,1H2,2H3,(H,29,30,31)