N-methyl-2-(phenylmethylsulfanyl)-5H-purin-6-amine

Systemtic Name: N-methyl-2-(phenylmethylsulfanyl)-5H-purin-6-amine Openeye Name: 2-benzylsulfanyl-N-methyl-5H-purin-6-amine CAS Name: N-methyl-2-(phenylmethylthio)-5H-purin-6-amine IUPAC Name: 2-benzylsulfanyl-N-methyl-5H-purin-6-amine Traditional Name: [2-(benzylthio)-5H-purin-6-yl]-methyl-amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=NC=NC21)SCC3=CC=CC=C3

Isomeric SMILES

CNC1=NC(=NC2=NC=NC21)SCC3=CC=CC=C3

InChI

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