ethyl 4-[4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C21H28N4O4S2/c1-2-29-21(28)24-10-8-23(9-11-24)18(26)15-5-3-14(4-6-15)13-25-19(27)17-16(7-12-31-17)22-20(25)30/h7,12,14-15H,2-6,8-11,13H2,1H3,(H,22,30)