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

Systemtic Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl 2-chloranylbenzoate Openeye Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-[[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]ethyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl ester Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCOC(=O)C2=CC=CC=C2Cl)C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCOC(=O)C2=CC=CC=C2Cl)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClN4O2S/c1-29-21-25-18(14-7-3-2-4-8-14)16(13-23)19(26-21)24-11-12-28-20(27)15-9-5-6-10-17(15)22/h2-10H,11-12H2,1H3,(H,24,25,26)