(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-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 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C17H16N6O2S/c1-26-14-12(8-5-9-19-14)15(24)25-10-13-21-16(18)23-17(22-13)20-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H3,18,20,21,22,23)