[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (2S)-2-benzamidopropanoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NC(=N1)N)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O3/c1-8(17-11(21)9-5-3-2-4-6-9)12(22)23-7-10-18-13(15)20-14(16)19-10/h2-6,8H,7H2,1H3,(H,17,21)(H4,15,16,18,19,20)/t8-/m0/s1