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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-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 (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N6O3/c1-13-7-6-8-15(11-13)18(28)23-14(2)19(29)30-12-17-25-20(22)27-21(26-17)24-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,23,28)(H3,22,24,25,26,27)/t14-/m0/s1