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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4-amino-6-anilino-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-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H17N7O3/c21-11-10-17(28)23-15-8-6-13(7-9-15)18(29)30-12-16-25-19(22)27-20(26-16)24-14-4-2-1-3-5-14/h1-9H,10,12H2,(H,23,28)(H3,22,24,25,26,27)