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

Systemtic Name: 6-methylsulfanyl-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-methylsulfanyl-purin-2-amine CAS Name: 6-(methylthio)-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-methylsulfanylpurin-2-amine Traditional Name: [9-benzyl-6-(methylthio)purin-2-yl]amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N

Isomeric SMILES

CSC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N

InChI

InChI=1S/C13H13N5S/c1-19-12-10-11(16-13(14)17-12)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17)