(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

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