[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=C1C(=NC=N2)SCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CSC2=C1C(=NC=N2)SCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H12N4O3S2/c14-3-1-4-15-10(18)6-20-11(19)7-22-13-9-2-5-21-12(9)16-8-17-13/h2,5,8H,1,4,6-7H2,(H,15,18)