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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(2-ethoxyphenoxy)ethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(2-ethoxyphenoxy)acetate CAS Name: 2-(2-ethoxyphenoxy)acetic 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-(2-ethoxyphenoxy)acetate Traditional Name: 2-(2-ethoxyphenoxy)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCOC1=CC=CC=C1OCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H24N4O6/c1-4-28-14-8-5-6-9-15(14)30-12-16(25)29-11-7-10-24-19(26)17-18(21-13-22(17)2)23(3)20(24)27/h5-6,8-9,13H,4,7,10-12H2,1-3H3