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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic 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 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H19N5O4S/c1-12-7-9-13(10-8-12)21-19-23-16(22-18(20)24-19)11-28-17(25)14-5-3-4-6-15(14)29(2,26)27/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)