3-(6-sulfanylidene-3H-purin-9-yl)propanenitrile

Systemtic Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanenitrile Openeye Name: 3-(6-thioxo-3H-purin-9-yl)propanenitrile CAS Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanenitrile IUPAC Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanenitrile Traditional Name: 3-(6-thioxo-3H-purin-9-yl)propionitrile Formula: C8H7N5S MolecularWeight: 205.23968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N5S/c9-2-1-3-13-5-12-6-7(13)10-4-11-8(6)14/h4-5H,1,3H2,(H,10,11,14)