1-(14-bromanyl-13-oxidanyl-tetradecyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(14-bromanyl-13-oxidanyl-tetradecyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(14-bromo-13-hydroxy-tetradecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(14-bromo-13-hydroxytetradecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(14-bromo-13-hydroxytetradecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(14-bromo-13-hydroxy-tetradecyl)-3,7-dimethyl-xanthine Formula: C21H35BrN4O3 MolecularWeight: 471.4316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCCC(CBr)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCCC(CBr)O

InChI

InChI=1S/C21H35BrN4O3/c1-24-16-23-19-18(24)20(28)26(21(29)25(19)2)14-12-10-8-6-4-3-5-7-9-11-13-17(27)15-22/h16-17,27H,3-15H2,1-2H3