1-(6-bromanyl-5-oxidanyl-hexyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(6-bromanyl-5-oxidanyl-hexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6-bromo-5-hydroxy-hexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-bromo-5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-bromo-5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6-bromo-5-hydroxy-hexyl)-3,7-dimethyl-xanthine Formula: C13H19BrN4O3 MolecularWeight: 359.21896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN4O3/c1-16-8-15-11-10(16)12(20)18(13(21)17(11)2)6-4-3-5-9(19)7-14/h8-9,19H,3-7H2,1-2H3