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

Systemtic Name: ethyl 4-[4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

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