6-[(3-methylphenyl)methylsulfanyl]-5H-purin-2-amine

Systemtic Name: 6-[(3-methylphenyl)methylsulfanyl]-5H-purin-2-amine Openeye Name: 6-(m-tolylmethylsulfanyl)-5H-purin-2-amine CAS Name: 6-[(3-methylphenyl)methylthio]-5H-purin-2-amine IUPAC Name: 6-[(3-methylphenyl)methylsulfanyl]-5H-purin-2-amine Traditional Name: [6-[(3-methylbenzyl)thio]-5H-purin-2-yl]amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=NC3=NC=NC32)N

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=NC3=NC=NC32)N

InChI

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