3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-methylphenoxy)propanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-methylphenoxy)propanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(4-methylphenoxy)propanoate CAS Name: 2-(4-methylphenoxy)propanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-(4-methylphenoxy)propanoate Traditional Name: 2-(4-methylphenoxy)propionic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H24N4O5/c1-13-6-8-15(9-7-13)29-14(2)19(26)28-11-5-10-24-18(25)16-17(21-12-22(16)3)23(4)20(24)27/h6-9,12,14H,5,10-11H2,1-4H3