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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]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-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N7O3/c1-13(22-20(29)24-15-10-6-3-7-11-15)17(28)30-12-16-25-18(21)27-19(26-16)23-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H2,22,24,29)(H3,21,23,25,26,27)/t13-/m0/s1