methyl 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]benzoate Openeye Name: methyl 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]benzoic acid methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H19N5O2S/c1-12-7-9-13(10-8-12)21-19-23-16(22-18(20)24-19)11-27-15-6-4-3-5-14(15)17(25)26-2/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)