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9-(2-cyanoethyl)purine-6-thiolate

9-(2-cyanoethyl)purine-6-thiolate

Systemtic Name:9-(2-cyanoethyl)purine-6-thiolate
Openeye Name:9-(2-cyanoethyl)purine-6-thiolate
CAS Name:9-(2-cyanoethyl)-6-purinethiolate
IUPAC Name:9-(2-cyanoethyl)purine-6-thiolate
Traditional Name:9-(2-cyanoethyl)purine-6-thiolate
Formula: C8H6N5S-
MolecularWeight: 204.23174
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)[S-])N=CN2CCC#N


Isomeric SMILES

C1=NC2=C(C(=N1)[S-])N=CN2CCC#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)/p-1


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