ethyl 4-(5-cyano-1-methyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-cyano-1-methyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-cyano-1-methyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-1-methyl-6-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-1-methyl-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-cyano-1-methyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O2S/c1-3-20-13(19)18-6-4-17(5-7-18)11-10(8-14)12(21)16(2)9-15-11/h9H,3-7H2,1-2H3