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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-acetamido-3-(p-tolyl)propanoate CAS Name: 3-acetamido-3-(4-methylphenyl)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-acetamido-3-(4-methylphenyl)propanoate Traditional Name: 3-acetamido-3-(p-tolyl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O3/c1-14-8-10-16(11-9-14)18(24-15(2)29)12-20(30)31-13-19-26-21(23)28-22(27-19)25-17-6-4-3-5-7-17/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H3,23,25,26,27,28)