[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,5-dimethylfuran-3-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5/c1-5-7-8-23-16-15(17(24)21-19(23)26)22(6-2)14(20-16)10-27-18(25)13-9-11(3)28-12(13)4/h9H,5-8,10H2,1-4H3,(H,21,24,26)