8-bromanyl-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C11H13BrN4O2 MolecularWeight: 313.15052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN4O2/c1-6(2)4-5-16-7-8(13-10(16)12)15(3)11(18)14-9(7)17/h4H,5H2,1-3H3,(H,14,17,18)