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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C15H18N4O4S2/c1-2-3-5-16-15(22)19-11(20)7-23-12(21)8-25-14-10-4-6-24-13(10)17-9-18-14/h4,6,9H,2-3,5,7-8H2,1H3,(H2,16,19,20,22)