[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)OCCO4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)OCCO4)CCC

InChI

InChI=1S/C22H26N4O6/c1-3-5-9-26-19-18(20(27)24-22(26)29)25(8-4-2)17(23-19)13-32-21(28)14-6-7-15-16(12-14)31-11-10-30-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,24,27,29)