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

Systemtic Name: 2-[6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 2-[6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[6-[(2,5-dimethoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 2-[6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 2-[6-[(2,5-dimethoxybenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H21N5O6 MolecularWeight: 415.39994

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O6/c1-28-13-3-4-14(29-2)11(5-13)7-20-16-15-17(22-9-21-16)24(10-23-15)19(18(26)27)6-12(25)8-30-19/h3-5,9-10,12,25H,6-8H2,1-2H3,(H,26,27)(H,20,21,22)