8-bromanyl-7-but-2-ynyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-but-2-ynyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-but-2-ynyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-but-2-ynyl-3-methyl-xanthine Formula: C10H9BrN4O2 MolecularWeight: 297.10806

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)