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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-phenoxybutanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic 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 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-15-8-5-6-11-17(15)23-21-25-18(24-20(22)26-21)14-29-19(27)12-7-13-28-16-9-3-2-4-10-16/h2-6,8-11H,7,12-14H2,1H3,(H3,22,23,24,25,26)