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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic 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 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-23(2,3)16-9-11-18(12-10-16)30-14-13-20(29)31-15-19-26-21(24)28-22(27-19)25-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H3,24,25,26,27,28)