7-[2-(4-bromophenyl)sulfonylethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-bromophenyl)sulfonylethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)sulfonylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)sulfonylethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)sulfonylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-brosylethyl)-1,3-dimethyl-xanthine Formula: C15H15BrN4O4S MolecularWeight: 427.273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O4S/c1-18-13-12(14(21)19(2)15(18)22)20(9-17-13)7-8-25(23,24)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3