6-[3-methyl-2,6,8-tris(oxidanylidene)-7,9-dihydropurin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3-methyl-2,6,8-tris(oxidanylidene)-7,9-dihydropurin-1-yl]hexan-2-yl ethanoate Openeye Name: [1-methyl-5-(3-methyl-2,6,8-trioxo-7,9-dihydropurin-1-yl)pentyl] acetate CAS Name: acetic acid 6-(3-methyl-2,6,8-trioxo-7,9-dihydropurin-1-yl)hexan-2-yl ester IUPAC Name: 6-(3-methyl-2,6,8-trioxo-7,9-dihydropurin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [1-methyl-5-(2,6,8-triketo-3-methyl-7,9-dihydropurin-1-yl)pentyl] ester Formula: C14H20N4O5 MolecularWeight: 324.3324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(NC(=O)N2)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(NC(=O)N2)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C14H20N4O5/c1-8(23-9(2)19)6-4-5-7-18-12(20)10-11(16-13(21)15-10)17(3)14(18)22/h8H,4-7H2,1-3H3,(H2,15,16,21)