N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine

Systemtic Name: N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine Openeye Name: N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine CAS Name: N-[[3-(methylthio)phenyl]methyl]-7H-purin-6-amine IUPAC Name: N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine Traditional Name: [3-(methylthio)benzyl]-(7H-purin-6-yl)amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)CNC2=NC=NC3=C2NC=N3

InChI

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