8-bromanyl-1,3-dimethyl-9-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-(2-methylallyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-(2-methylallyl)xanthine Formula: C11H13BrN4O2 MolecularWeight: 313.15052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

Isomeric SMILES

CC(=C)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

InChI

InChI=1S/C11H13BrN4O2/c1-6(2)5-16-8-7(13-10(16)12)9(17)15(4)11(18)14(8)3/h1,5H2,2-4H3