ethyl 6-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H23N7O2S MolecularWeight: 449.52872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C22H23N7O2S/c1-4-14-8-6-7-9-17(14)26-22-28-18(27-21(24)29-22)12-32-19-15(11-23)10-16(13(3)25-19)20(30)31-5-2/h6-10H,4-5,12H2,1-3H3,(H3,24,26,27,28,29)