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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H16N4O3S2/c20-8-4-9-23(14-5-2-1-3-6-14)16(24)11-26-17(25)12-28-19-15-7-10-27-18(15)21-13-22-19/h1-3,5-7,10,13H,4,9,11-12H2