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

Systemtic Name: 4-oxidanyl-2-[6-[(4-phenylmethoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 2-[6-[(4-benzyloxyphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-2-[6-[(4-phenylmethoxyphenyl)methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-2-[6-[(4-phenylmethoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 2-[6-[(4-benzoxybenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C24H23N5O5 MolecularWeight: 461.46992

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1(C(=O)O)N2C=NC3=C2N=CN=C3NCC4=CC=C(C=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1C(COC1(C(=O)O)N2C=NC3=C2N=CN=C3NCC4=CC=C(C=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C24H23N5O5/c30-18-10-24(23(31)32,34-13-18)29-15-28-20-21(26-14-27-22(20)29)25-11-16-6-8-19(9-7-16)33-12-17-4-2-1-3-5-17/h1-9,14-15,18,30H,10-13H2,(H,31,32)(H,25,26,27)