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

Systemtic Name: 3-azanyl-5-[6-(2-naphthalen-1-ylethylamino)purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-4-hydroxy-5-[6-[2-(1-naphthyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[2-(1-naphthalenyl)ethylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-(2-naphthalen-1-ylethylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-4-hydroxy-5-[6-[2-(1-naphthyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N)O

InChI

InChI=1S/C22H22N6O4/c23-15-17(29)21(32-18(15)22(30)31)28-11-27-16-19(25-10-26-20(16)28)24-9-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,29H,8-9,23H2,(H,30,31)(H,24,25,26)