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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-cyanophenyl)propanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic 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-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H18N6O2/c1-22(2)16-20-13(19-15(18)21-16)10-24-14(23)8-7-11-3-5-12(9-17)6-4-11/h3-6H,7-8,10H2,1-2H3,(H2,18,19,20,21)