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

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl furan-2-carboxylate Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]ethyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCOC(=O)C2=CC=CO2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCOC(=O)C2=CC=CO2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN4O3S/c1-28-19-23-16(12-4-6-13(20)7-5-12)14(11-21)17(24-19)22-8-10-27-18(25)15-3-2-9-26-15/h2-7,9H,8,10H2,1H3,(H,22,23,24)