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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

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