ethyl 4-[2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C17H22N4O4S2/c1-3-21-15(23)14-12(5-10-26-14)18-16(21)27-11-13(22)19-6-8-20(9-7-19)17(24)25-4-2/h5,10H,3-4,6-9,11H2,1-2H3