8-bromanyl-9-methyl-6-phenylsulfanyl-purine

Systemtic Name: 8-bromanyl-9-methyl-6-phenylsulfanyl-purine Openeye Name: 8-bromo-9-methyl-6-phenylsulfanyl-purine CAS Name: 8-bromo-9-methyl-6-(phenylthio)purine IUPAC Name: 8-bromo-9-methyl-6-phenylsulfanylpurine Traditional Name: 8-bromo-9-methyl-6-(phenylthio)purine Formula: C12H9BrN4S MolecularWeight: 321.19566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)SC3=CC=CC=C3)N=C1Br

Isomeric SMILES

CN1C2=C(C(=NC=N2)SC3=CC=CC=C3)N=C1Br

InChI

InChI=1S/C12H9BrN4S/c1-17-10-9(16-12(17)13)11(15-7-14-10)18-8-5-3-2-4-6-8/h2-7H,1H3