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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(isopropylcarbamoylamino)-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-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4S2/c1-8(2)17-14(21)18-10(19)5-22-11(20)6-24-13-9-3-4-23-12(9)15-7-16-13/h3-4,7-8H,5-6H2,1-2H3,(H2,17,18,19,21)