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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(4-ethanoylphenoxy)butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic 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-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-15(28)16-9-11-18(12-10-16)30-13-5-8-20(29)31-14-19-25-21(23)27-22(26-19)24-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H3,23,24,25,26,27)