[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H18N6O2S/c1-24(2)18-22-14(21-17(19)23-18)11-26-16(25)13-9-6-10-20-15(13)27-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,19,21,22,23)