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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCOC3=CC=CC=C3

InChI

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