methyl 2-[[6-[(2-chlorophenyl)amino]-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: methyl 2-[[6-[(2-chlorophenyl)amino]-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethanoate Openeye Name: methyl 2-[[6-(2-chloroanilino)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(2-chloroanilino)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(2-chloroanilino)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(2-chloroanilino)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]acetic acid methyl ester Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=NC(=NC(=C1C#N)NC2=CC=CC=C2Cl)SC

Isomeric SMILES

COC(=O)CNC1=NC(=NC(=C1C#N)NC2=CC=CC=C2Cl)SC

InChI

InChI=1S/C15H14ClN5O2S/c1-23-12(22)8-18-13-9(7-17)14(21-15(20-13)24-2)19-11-6-4-3-5-10(11)16/h3-6H,8H2,1-2H3,(H2,18,19,20,21)