[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-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 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(O3)COC4=CC=CC=C4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(O3)COC4=CC=CC=C4)CCC

InChI

InChI=1S/C25H28N4O6/c1-3-5-14-29-22-21(23(30)27-25(29)32)28(13-4-2)20(26-22)16-34-24(31)19-12-11-18(35-19)15-33-17-9-7-6-8-10-17/h6-12H,3-5,13-16H2,1-2H3,(H,27,30,32)