4-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-amino-7H-purin-8-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-amino-7H-purin-8-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-amino-7H-purin-8-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-amino-7H-purin-8-yl)thio]methyl]benzonitrile Formula: C13H10N6S MolecularWeight: 282.3237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(N2)C(=NC=N3)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(N2)C(=NC=N3)N)C#N

InChI

InChI=1S/C13H10N6S/c14-5-8-1-3-9(4-2-8)6-20-13-18-10-11(15)16-7-17-12(10)19-13/h1-4,7H,6H2,(H3,15,16,17,18,19)