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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic 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-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic 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)COC3=CC(=C(C=C3)C)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC(=C(C=C3)C)C)CCC

InChI

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