ethyl 4-(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-3-26-19(25)24-11-9-23(10-12-24)17-15(13-20)16(21-18(22-17)27-2)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3