2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2-chloranylbenzoate

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2-chloranylbenzoate Openeye Name: 2-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-[[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 2-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl ester Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCOC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCOC(=O)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C22H19ClN4O2S/c1-14-7-9-15(10-8-14)19-17(13-24)20(27-22(26-19)30-2)25-11-12-29-21(28)16-5-3-4-6-18(16)23/h3-10H,11-12H2,1-2H3,(H,25,26,27)