(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]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-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O3/c1-24(2,3)17-11-9-16(10-12-17)21(32)26-14-13-20(31)33-15-19-28-22(25)30-23(29-19)27-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,26,32)(H3,25,27,28,29,30)