8-bromanyl-2-methylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-methylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-methylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(methylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-methylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(methylthio)purin-6-yl]amine Formula: C13H12BrN5S MolecularWeight: 350.23688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C13H12BrN5S/c1-20-13-17-10(15)9-11(18-13)19(12(14)16-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,17,18)