methyl 2-[3-[[6-azanyl-2-(3-morpholin-4-ylpropoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-morpholin-4-ylpropoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-morpholinopropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-[3-(4-morpholinyl)propoxy]-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-morpholin-4-ylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(3-morpholinopropoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCN4CCOCC4)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCN4CCOCC4)N)NC2=O

InChI

InChI=1S/C22H28N6O5/c1-31-17(29)13-15-4-2-5-16(12-15)14-28-20-18(24-22(28)30)19(23)25-21(26-20)33-9-3-6-27-7-10-32-11-8-27/h2,4-5,12H,3,6-11,13-14H2,1H3,(H,24,30)(H2,23,25,26)