2-methyl-4-(6-methylsulfanylpurin-9-yl)butanenitrile

Systemtic Name: 2-methyl-4-(6-methylsulfanylpurin-9-yl)butanenitrile Openeye Name: 2-methyl-4-(6-methylsulfanylpurin-9-yl)butanenitrile CAS Name: 2-methyl-4-[6-(methylthio)-9-purinyl]butanenitrile IUPAC Name: 2-methyl-4-(6-methylsulfanylpurin-9-yl)butanenitrile Traditional Name: 2-methyl-4-[6-(methylthio)purin-9-yl]butyronitrile Formula: C11H13N5S MolecularWeight: 247.31942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=NC2=C1N=CN=C2SC)C#N

Isomeric SMILES

CC(CCN1C=NC2=C1N=CN=C2SC)C#N

InChI

InChI=1S/C11H13N5S/c1-8(5-12)3-4-16-7-15-9-10(16)13-6-14-11(9)17-2/h6-8H,3-4H2,1-2H3