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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CC(C)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C13H15N3O3S2/c1-8(2)16-10(17)5-19-11(18)6-21-13-9-3-4-20-12(9)14-7-15-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)