8-[(2-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-[(2-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-[(2-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-[(2-bromophenyl)methylthio]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-[(2-bromophenyl)methylsulfanyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-[(2-bromobenzyl)thio]-1,3,7-trimethyl-4,5-dihydropurine-2,6-quinone Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(N=C1SCC3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2C(N=C1SCC3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H17BrN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-6-4-5-7-10(9)16/h4-7,11-12H,8H2,1-3H3