ethyl 4-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C19H20ClN5O2S/c1-3-27-19(26)25-10-8-24(9-11-25)17-15(12-21)16(22-18(23-17)28-2)13-4-6-14(20)7-5-13/h4-7H,3,8-11H2,1-2H3