8-bromanyl-1-(3-ethylperoxybut-3-enyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1-(3-ethylperoxybut-3-enyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-1-(3-ethylperoxybut-3-enyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1-(3-ethyldioxybut-3-enyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-1-(3-ethylperoxybut-3-enyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-bromo-1-(3-ethylperoxybut-3-enyl)-3,7-dimethyl-xanthine Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

CCOOC(=C)CCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

Isomeric SMILES

CCOOC(=C)CCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

InChI

InChI=1S/C13H17BrN4O4/c1-5-21-22-8(2)6-7-18-11(19)9-10(17(4)13(18)20)15-12(14)16(9)3/h2,5-7H2,1,3-4H3