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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(3-methylphenoxy)propanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-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 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-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(=CC=C1)OCCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-14-6-4-7-15(12-14)28-11-8-16(25)29-10-5-9-24-19(26)17-18(21-13-22(17)2)23(3)20(24)27/h4,6-7,12-13H,5,8-11H2,1-3H3