[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-(4-methylphenoxy)butanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-(4-methylphenoxy)butanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCOC3=CC=C(C=C3)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCOC3=CC=C(C=C3)C)CC

InChI

InChI=1S/C23H30N4O5/c1-4-6-13-27-21-20(22(29)25-23(27)30)26(5-2)18(24-21)15-32-19(28)8-7-14-31-17-11-9-16(3)10-12-17/h9-12H,4-8,13-15H2,1-3H3,(H,25,29,30)