8-bromanyl-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[(E)-but-2-enyl]-3-methyl-xanthine Formula: C10H11BrN4O2 MolecularWeight: 299.12394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h3-4H,5H2,1-2H3,(H,13,16,17)/b4-3+