8-[(3-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(3-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(3-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(3-bromophenyl)methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(3-bromophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(3-bromobenzyl)thio]-1,3,7-trimethyl-xanthine Formula: C15H15BrN4O2S MolecularWeight: 395.2742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H15BrN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3