(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-tert-butylphenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic 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 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-22(2,3)15-9-11-17(12-10-15)29-14-19(28)30-13-18-25-20(23)27-21(26-18)24-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H3,23,24,25,26,27)