8-[(3-bromophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one

Systemtic Name: 8-[(3-bromophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[(3-bromophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[(3-bromophenyl)methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[(3-bromophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[(3-bromobenzyl)thio]-9-methyl-3H-purin-6-one Formula: C13H11BrN4OS MolecularWeight: 351.22164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H11BrN4OS/c1-18-11-10(12(19)16-7-15-11)17-13(18)20-6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,15,16,19)