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

Systemtic Name: ethyl 4-[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-4-27-20(26)25-11-9-24(10-12-25)18-16(13-21)17(22-19(23-18)28-3)15-7-5-14(2)6-8-15/h5-8H,4,9-12H2,1-3H3