5-[6-(2-naphthalen-1-ylethylamino)purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-[6-(2-naphthalen-1-ylethylamino)purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 4-hydroxy-5-[6-[2-(1-naphthyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-5-[6-[2-(1-naphthalenyl)ethylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-5-[6-(2-naphthalen-1-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 4-hydroxy-5-[6-[2-(1-naphthyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NCCC4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NCCC4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C22H21N5O4/c28-16-10-17(22(29)30)31-21(16)27-12-26-18-19(24-11-25-20(18)27)23-9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11-12,16-17,21,28H,8-10H2,(H,29,30)(H,23,24,25)