5-[6-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-[6-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 4-hydroxy-5-[6-[[3-(2-morpholinoethoxy)phenyl]methylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-5-[6-[[3-[2-(4-morpholinyl)ethoxy]phenyl]methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-5-[6-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 4-hydroxy-5-[6-[[3-(2-morpholinoethoxy)benzyl]amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=CC=CC(=C2)CNC3=NC=NC4=C3N=CN4C5C(CC(O5)C(=O)O)O

Isomeric SMILES

C1COCCN1CCOC2=CC=CC(=C2)CNC3=NC=NC4=C3N=CN4C5C(CC(O5)C(=O)O)O

InChI

InChI=1S/C23H28N6O6/c30-17-11-18(23(31)32)35-22(17)29-14-27-19-20(25-13-26-21(19)29)24-12-15-2-1-3-16(10-15)34-9-6-28-4-7-33-8-5-28/h1-3,10,13-14,17-18,22,30H,4-9,11-12H2,(H,31,32)(H,24,25,26)