[3-[9-[(4-acetamidophenyl)methyl]-2-morpholin-4-yl-purin-6-yl]phenyl] ethanoate

Systemtic Name: [3-[9-[(4-acetamidophenyl)methyl]-2-morpholin-4-yl-purin-6-yl]phenyl] ethanoate Openeye Name: [3-[9-[(4-acetamidophenyl)methyl]-2-morpholino-purin-6-yl]phenyl] acetate CAS Name: acetic acid [3-[9-[(4-acetamidophenyl)methyl]-2-(4-morpholinyl)-6-purinyl]phenyl] ester IUPAC Name: [3-[9-[(4-acetamidophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenyl] acetate Traditional Name: acetic acid [3-[9-(4-acetamidobenzyl)-2-morpholino-purin-6-yl]phenyl] ester Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CC(=CC=C5)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CC(=CC=C5)OC(=O)C

InChI

InChI=1S/C26H26N6O4/c1-17(33)28-21-8-6-19(7-9-21)15-32-16-27-24-23(20-4-3-5-22(14-20)36-18(2)34)29-26(30-25(24)32)31-10-12-35-13-11-31/h3-9,14,16H,10-13,15H2,1-2H3,(H,28,33)