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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylsulfanylbenzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]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)COC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)SC

InChI

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