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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-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-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H21N7O3 MolecularWeight: 359.38304

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O3/c1-23(2)16-21-12(20-14(17)22-16)9-26-13(24)8-11(19-15(18)25)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H3,18,19,25)(H2,17,20,21,22)