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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-benzamido-3-methyl-butanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic 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 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3/c1-14(2)19(28-20(30)16-10-5-4-6-11-16)21(31)32-13-18-26-22(24)29-23(27-18)25-17-12-8-7-9-15(17)3/h4-12,14,19H,13H2,1-3H3,(H,28,30)(H3,24,25,26,27,29)