5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile

Systemtic Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile Openeye Name: 5-(6-thioxo-3H-purin-9-yl)pentanenitrile CAS Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile IUPAC Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile Traditional Name: 5-(6-thioxo-3H-purin-9-yl)valeronitrile Formula: C10H11N5S MolecularWeight: 233.29284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N5S/c11-4-2-1-3-5-15-7-14-8-9(15)12-6-13-10(8)16/h6-7H,1-3,5H2,(H,12,13,16)