8-bromanyl-9-methyl-3H-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-methyl-3H-purine-2,6-dione Openeye Name: 8-bromo-9-methyl-3H-purine-2,6-dione CAS Name: 8-bromo-9-methyl-3H-purine-2,6-dione IUPAC Name: 8-bromo-9-methyl-3H-purine-2,6-dione Traditional Name: 8-bromo-9-methyl-xanthine Formula: C6H5BrN4O2 MolecularWeight: 245.0335

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC(=O)N2)N=C1Br

Isomeric SMILES

CN1C2=C(C(=O)NC(=O)N2)N=C1Br

InChI

InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(11)7)4(12)10-6(13)9-3/h1H3,(H2,9,10,12,13)