8-[1-(2-bromoethyl)-2,6-bis(oxidanylidene)-3H-purin-7-yl]octan-2-olate

Systemtic Name: 8-[1-(2-bromoethyl)-2,6-bis(oxidanylidene)-3H-purin-7-yl]octan-2-olate Openeye Name: 8-[1-(2-bromoethyl)-2,6-dioxo-3H-purin-7-yl]octan-2-olate CAS Name: 8-[1-(2-bromoethyl)-2,6-dioxo-3H-purin-7-yl]-2-octanolate IUPAC Name: 8-[1-(2-bromoethyl)-2,6-dioxo-3H-purin-7-yl]octan-2-olate Traditional Name: 8-[1-(2-bromoethyl)-2,6-diketo-3H-purin-7-yl]octan-2-olate Formula: C15H22BrN4O3- MolecularWeight: 386.26418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CCBr)[O-]

Isomeric SMILES

CC(CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CCBr)[O-]

InChI

InChI=1S/C15H22BrN4O3/c1-11(21)6-4-2-3-5-8-19-10-17-13-12(19)14(22)20(9-7-16)15(23)18-13/h10-11H,2-9H2,1H3,(H,18,23)/q-1