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

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-bromo-3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-(2-methyldioxy-2-phenylethyl)purine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-(2-methylperoxy-2-phenylethyl)purine-2,6-dione Traditional Name: 8-bromo-3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)xanthine Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(C3=CC=CC=C3)OOC)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(C3=CC=CC=C3)OOC)C

InChI

InChI=1S/C16H17BrN4O4/c1-19-12-13(18-15(19)17)20(2)16(23)21(14(12)22)9-11(25-24-3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3