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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-phenoxybutanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic 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-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5/c1-3-5-13-26-20-19(21(28)24-22(26)29)25(4-2)17(23-20)15-31-18(27)12-9-14-30-16-10-7-6-8-11-16/h6-8,10-11H,3-5,9,12-15H2,1-2H3,(H,24,28,29)