2-(6-sulfanylidene-3H-purin-9-yl)ethanenitrile

Systemtic Name: 2-(6-sulfanylidene-3H-purin-9-yl)ethanenitrile Openeye Name: 2-(6-thioxo-3H-purin-9-yl)acetonitrile CAS Name: 2-(6-sulfanylidene-3H-purin-9-yl)acetonitrile IUPAC Name: 2-(6-sulfanylidene-3H-purin-9-yl)acetonitrile Traditional Name: 2-(6-thioxo-3H-purin-9-yl)acetonitrile Formula: C7H5N5S MolecularWeight: 191.2131

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CC#N

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CC#N

InChI

InChI=1S/C7H5N5S/c8-1-2-12-4-11-5-6(12)9-3-10-7(5)13/h3-4H,2H2,(H,9,10,13)