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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3,4-dimethylbenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)C

InChI

InChI=1S/C20H21N5O2/c1-12-8-9-15(10-14(12)3)18(26)27-11-17-23-19(21)25-20(24-17)22-16-7-5-4-6-13(16)2/h4-10H,11H2,1-3H3,(H3,21,22,23,24,25)