2-[(2-azanyl-5H-purin-6-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(2-azanyl-5H-purin-6-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]acetonitrile CAS Name: 2-[(2-amino-5H-purin-6-yl)thio]acetonitrile IUPAC Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]acetonitrile Traditional Name: 2-[(2-amino-5H-purin-6-yl)thio]acetonitrile Formula: C7H6N6S MolecularWeight: 206.22774

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=C(N=C2SCC#N)N

Isomeric SMILES

C1=NC2C(=N1)N=C(N=C2SCC#N)N

InChI

InChI=1S/C7H6N6S/c8-1-2-14-6-4-5(11-3-10-4)12-7(9)13-6/h3-4H,2H2,(H2,9,10,11,12)