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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3COC4=CC=CC=C4O3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)[C@H]3COC4=CC=CC=C4O3)CCC

InChI

InChI=1S/C22H26N4O6/c1-3-5-11-26-19-18(20(27)24-22(26)29)25(10-4-2)17(23-19)13-31-21(28)16-12-30-14-8-6-7-9-15(14)32-16/h6-9,16H,3-5,10-13H2,1-2H3,(H,24,27,29)/t16-/m1/s1