8-bromanyl-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C15H15BrN4O3/c1-18-12-11(13(22)19(2)15(18)23)20(14(16)17-12)8-10(21)9-6-4-3-5-7-9/h3-7,10,21H,8H2,1-2H3