[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-methylphenoxy)ethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-methylphenoxy)ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(2-methylphenoxy)acetate CAS Name: 2-(2-methylphenoxy)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(2-methylphenoxy)acetate Traditional Name: 2-(2-methylphenoxy)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3C)CC

InChI

InChI=1S/C21H26N4O5/c1-4-6-11-25-19-18(20(27)23-21(25)28)24(5-2)16(22-19)12-30-17(26)13-29-15-10-8-7-9-14(15)3/h7-10H,4-6,11-13H2,1-3H3,(H,23,27,28)