ethyl 4-(5-cyano-1,2-dimethyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-cyano-1,2-dimethyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-cyano-1,2-dimethyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-1,2-dimethyl-6-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-1,2-dimethyl-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-cyano-1,2-dimethyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C(=N2)C)C)C#N

InChI

InChI=1S/C14H19N5O2S/c1-4-21-14(20)19-7-5-18(6-8-19)12-11(9-15)13(22)17(3)10(2)16-12/h4-8H2,1-3H3