3-(7H-purin-6-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(7H-purin-6-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(7H-purin-6-ylsulfanylmethyl)benzonitrile CAS Name: 3-[(7H-purin-6-ylthio)methyl]benzonitrile IUPAC Name: 3-(7H-purin-6-ylsulfanylmethyl)benzonitrile Traditional Name: 3-[(7H-purin-6-ylthio)methyl]benzonitrile Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2NC=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2NC=N3)C#N

InChI

InChI=1S/C13H9N5S/c14-5-9-2-1-3-10(4-9)6-19-13-11-12(16-7-15-11)17-8-18-13/h1-4,7-8H,6H2,(H,15,16,17,18)