2-[2-chloranyl-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 2-[2-chloranyl-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 2-[2-chloro-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[2-chloro-6-[(2,5-dimethoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 2-[2-chloro-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 2-[2-chloro-6-[(2,5-dimethoxybenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H20ClN5O6 MolecularWeight: 449.845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=NC(=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=NC(=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O)Cl

InChI

InChI=1S/C19H20ClN5O6/c1-29-12-3-4-13(30-2)10(5-12)7-21-15-14-16(24-18(20)23-15)25(9-22-14)19(17(27)28)6-11(26)8-31-19/h3-5,9,11,26H,6-8H2,1-2H3,(H,27,28)(H,21,23,24)