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

Systemtic Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl pyridine-4-carboxylate Openeye Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic 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 pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl ester Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2S/c1-28-20-24-17(14-5-3-2-4-6-14)16(13-21)18(25-20)23-11-12-27-19(26)15-7-9-22-10-8-15/h2-10H,11-12H2,1H3,(H,23,24,25)