1-(2-bromoethyl)-7-(7-oxidanyloctyl)-3H-purine-2,6-dione

Systemtic Name: 1-(2-bromoethyl)-7-(7-oxidanyloctyl)-3H-purine-2,6-dione Openeye Name: 1-(2-bromoethyl)-7-(7-hydroxyoctyl)-3H-purine-2,6-dione CAS Name: 1-(2-bromoethyl)-7-(7-hydroxyoctyl)-3H-purine-2,6-dione IUPAC Name: 1-(2-bromoethyl)-7-(7-hydroxyoctyl)-3H-purine-2,6-dione Traditional Name: 1-(2-bromoethyl)-7-(7-hydroxyoctyl)xanthine Formula: C15H23BrN4O3 MolecularWeight: 387.27212

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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/C15H23BrN4O3/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/h10-11,21H,2-9H2,1H3,(H,18,23)