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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(4-methylphenoxy)propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(4-methylphenoxy)propanoate CAS Name: 2-(4-methylphenoxy)propanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-(4-methylphenoxy)propanoate Traditional Name: 2-(4-methylphenoxy)propionic acid (3-butyl-2,6-diketo-7-propyl-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)C(C)OC3=CC=C(C=C3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)OC3=CC=C(C=C3)C)CCC

InChI

InChI=1S/C23H30N4O5/c1-5-7-13-27-20-19(21(28)25-23(27)30)26(12-6-2)18(24-20)14-31-22(29)16(4)32-17-10-8-15(3)9-11-17/h8-11,16H,5-7,12-14H2,1-4H3,(H,25,28,30)