8-bromanyl-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7H-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7H-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7H-purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7H-purine-2,6-quinone Formula: C6H5BrN4O2 MolecularWeight: 245.0335

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)Br

InChI

InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)