8-[(3-bromophenyl)methylsulfanyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-[(3-bromophenyl)methylsulfanyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[(3-bromophenyl)methylsulfanyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[(3-bromophenyl)methylthio]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(3-bromophenyl)methylsulfanyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[(3-bromobenzyl)thio]-3-methyl-7H-purine-2,6-quinone Formula: C13H11BrN4O2S MolecularWeight: 367.22104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H11BrN4O2S/c1-18-10-9(11(19)17-13(18)20)15-12(16-10)21-6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,15,16)(H,17,19,20)