6-[(3-bromophenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(3-bromophenyl)methylsulfanyl]-7H-purine Openeye Name: 6-[(3-bromophenyl)methylsulfanyl]-7H-purine CAS Name: 6-[(3-bromophenyl)methylthio]-7H-purine IUPAC Name: 6-[(3-bromophenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(3-bromobenzyl)thio]-7H-purine Formula: C12H9BrN4S MolecularWeight: 321.19566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H9BrN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)