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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic 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-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-14-7-5-6-10-16(14)23-21-25-18(24-20(22)26-21)13-29-19(28)12-11-17(27)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H3,22,23,24,25,26)