(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C21H19N7O2S/c1-31-18-15(10-22)14(9-16(25-18)12-7-8-12)19(29)30-11-17-26-20(23)28-21(27-17)24-13-5-3-2-4-6-13/h2-6,9,12H,7-8,11H2,1H3,(H3,23,24,26,27,28)