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

Systemtic Name: 1-[3-(2-bromoethyl)-1-(1-oxidanidyloctyl)-2,6-bis(oxidanylidene)purin-7-yl]octan-1-olate Openeye Name: 1-[3-(2-bromoethyl)-1-(1-oxidooctyl)-2,6-dioxo-purin-7-yl]octan-1-olate CAS Name: 1-[3-(2-bromoethyl)-1-(1-oxidooctyl)-2,6-dioxo-7-purinyl]-1-octanolate IUPAC Name: 1-[3-(2-bromoethyl)-1-(1-oxidooctyl)-2,6-dioxopurin-7-yl]octan-1-olate Traditional Name: 1-[3-(2-bromoethyl)-2,6-diketo-1-(1-oxidooctyl)purin-7-yl]octan-1-olate Formula: C23H37BrN4O4-2 MolecularWeight: 513.46828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CCBr)C(CCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CCBr)C(CCCCCCC)[O-])[O-]

InChI

InChI=1S/C23H37BrN4O4/c1-3-5-7-9-11-13-18(29)27-17-25-21-20(27)22(31)28(23(32)26(21)16-15-24)19(30)14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3/q-2