2-[6-ethyl-4-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[2,3-d]pyrimidin-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-ethyl-4-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[2,3-d]pyrimidin-2-yl]sulfanylethanamide Openeye Name: 2-[3-[(2-benzylsulfanylacetyl)amino]-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide CAS Name: 2-[[6-ethyl-4-oxo-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[3-[(2-benzylsulfanylacetyl)amino]-6-ethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[[2-(benzylthio)acetyl]amino]-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CSCC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CSCC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C19H20N4O3S3/c1-2-13-8-14-17(29-13)21-19(28-10-15(20)24)23(18(14)26)22-16(25)11-27-9-12-6-4-3-5-7-12/h3-8H,2,9-11H2,1H3,(H2,20,24)(H,22,25)