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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(3-methylphenoxy)ethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)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-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-13-6-4-7-14(10-13)28-11-15(24)27-9-5-8-23-18(25)16-17(20-12-21(16)2)22(3)19(23)26/h4,6-7,10,12H,5,8-9,11H2,1-3H3