[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C14H14N4O3S2 MolecularWeight: 350.41596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C14H14N4O3S2/c1-18(5-2-4-15)11(19)7-21-12(20)8-23-14-10-3-6-22-13(10)16-9-17-14/h3,6,9H,2,5,7-8H2,1H3