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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-14-8-9-16(12-15(14)2)18(28)10-11-20(29)30-13-19-25-21(23)27-22(26-19)24-17-6-4-3-5-7-17/h3-9,12H,10-11,13H2,1-2H3,(H3,23,24,25,26,27)