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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1CC1NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C13H13N3O3S2/c17-10(16-8-1-2-8)5-19-11(18)6-21-13-9-3-4-20-12(9)14-7-15-13/h3-4,7-8H,1-2,5-6H2,(H,16,17)