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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

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