[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenyl-propanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenyl-propanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

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