(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-benzamidopropanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-benzamidopropanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic 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 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3/c1-13(22-17(27)14-8-4-2-5-9-14)18(28)29-12-16-24-19(21)26-20(25-16)23-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,27)(H3,21,23,24,25,26)