6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine

Systemtic Name: 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine Openeye Name: 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine CAS Name: 6-(methylthio)-N-(1H-pyrrol-2-ylmethyl)-9-purinamine IUPAC Name: 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine Traditional Name: [6-(methylthio)purin-9-yl]-(1H-pyrrol-2-ylmethyl)amine Formula: C11H12N6S MolecularWeight: 260.31818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2NCC3=CC=CN3

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2NCC3=CC=CN3

InChI

InChI=1S/C11H12N6S/c1-18-11-9-10(13-6-14-11)17(7-15-9)16-5-8-3-2-4-12-8/h2-4,6-7,12,16H,5H2,1H3