8-bromanyl-9-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-xanthine Formula: C14H17BrN6O3 MolecularWeight: 397.22718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCCCC1=NOC(=N1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C14H17BrN6O3/c1-4-5-6-8-16-9(24-18-8)7-21-11-10(17-13(21)15)12(22)20(3)14(23)19(11)2/h4-7H2,1-3H3