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

Systemtic Name: ethyl 4-(5-cyano-1-phenyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-cyano-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-1-phenyl-6-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-1-phenyl-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-cyano-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H19N5O2S/c1-2-25-18(24)22-10-8-21(9-11-22)16-15(12-19)17(26)23(13-20-16)14-6-4-3-5-7-14/h3-7,13H,2,8-11H2,1H3