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

Systemtic Name: 3-(2-bromoethyl)-1,7-bis(1-oxidanyloctyl)purine-2,6-dione Openeye Name: 3-(2-bromoethyl)-1,7-bis(1-hydroxyoctyl)purine-2,6-dione CAS Name: 3-(2-bromoethyl)-1,7-bis(1-hydroxyoctyl)purine-2,6-dione IUPAC Name: 3-(2-bromoethyl)-1,7-bis(1-hydroxyoctyl)purine-2,6-dione Traditional Name: 3-(2-bromoethyl)-1,7-bis(1-hydroxyoctyl)xanthine Formula: C23H39BrN4O4 MolecularWeight: 515.48416

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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/C23H39BrN4O4/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/h17-19,29-30H,3-16H2,1-2H3