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

Systemtic Name: ethyl 4-[3-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C16H20N4O4S2/c1-2-24-16(23)19-8-6-18(7-9-19)12(21)3-5-20-14(22)13-11(4-10-26-13)17-15(20)25/h4,10H,2-3,5-9H2,1H3,(H,17,25)