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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic 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 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O3/c1-23(2)16-21-12(20-15(18)22-16)9-26-14(25)10-3-5-11(6-4-10)19-13(24)7-8-17/h3-6H,7,9H2,1-2H3,(H,19,24)(H2,18,20,21,22)