8-bromanyl-1,3-dimethyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-pentyl-purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-pentylpurine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-bromo-1,3-dimethyl-xanthine Formula: C12H17BrN4O2 MolecularWeight: 329.19298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H17BrN4O2/c1-4-5-6-7-17-8-9(14-11(17)13)15(2)12(19)16(3)10(8)18/h4-7H2,1-3H3