[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl furan-2-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl furan-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CO3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CO3)CCC

InChI

InChI=1S/C18H22N4O5/c1-3-5-9-22-15-14(16(23)20-18(22)25)21(8-4-2)13(19-15)11-27-17(24)12-7-6-10-26-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23,25)