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

Systemtic Name: 8-bromanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-(2-methylallyl)xanthine Formula: C10H11BrN4O2 MolecularWeight: 299.12394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H11BrN4O2/c1-5(2)4-15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h1,4H2,2-3H3,(H,13,16,17)