[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=COCCO3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=COCCO3)CC

InChI

InChI=1S/C17H22N4O6/c1-3-5-6-21-14-13(15(22)19-17(21)24)20(4-2)12(18-14)10-27-16(23)11-9-25-7-8-26-11/h9H,3-8,10H2,1-2H3,(H,19,22,24)