8-bromanyl-7-(2-bromanyl-2-phenyl-ethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(2-bromanyl-2-phenyl-ethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2-bromo-2-phenyl-ethyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-bromo-2-phenylethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-bromo-2-phenylethyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-bromo-2-phenyl-ethyl)-3-methyl-xanthine Formula: C14H12Br2N4O2 MolecularWeight: 428.07868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(C3=CC=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(C3=CC=CC=C3)Br

InChI

InChI=1S/C14H12Br2N4O2/c1-19-11-10(12(21)18-14(19)22)20(13(16)17-11)7-9(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,18,21,22)