7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile

Systemtic Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile Openeye Name: 7-(6-thioxo-3H-purin-9-yl)heptanenitrile CAS Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile IUPAC Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile Traditional Name: 7-(6-thioxo-3H-purin-9-yl)enanthonitrile Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5S/c13-6-4-2-1-3-5-7-17-9-16-10-11(17)14-8-15-12(10)18/h8-9H,1-5,7H2,(H,14,15,18)