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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3,3-dimethylbutanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4/c1-6-8-9-22-15-14(16(24)20-17(22)25)21(7-2)12(19-15)11-26-13(23)10-18(3,4)5/h6-11H2,1-5H3,(H,20,24,25)