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

Systemtic Name: 3-azanyl-5-[6-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-4-hydroxy-5-[6-[[3-(2-morpholinoethoxy)phenyl]methylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[[3-[2-(4-morpholinyl)ethoxy]phenyl]methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-4-hydroxy-5-[6-[[3-(2-morpholinoethoxy)benzyl]amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C23H29N7O6 MolecularWeight: 499.51966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O6/c24-16-18(31)22(36-19(16)23(32)33)30-13-28-17-20(26-12-27-21(17)30)25-11-14-2-1-3-15(10-14)35-9-6-29-4-7-34-8-5-29/h1-3,10,12-13,16,18-19,22,31H,4-9,11,24H2,(H,32,33)(H,25,26,27)