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

Systemtic Name: (4-cyanophenyl)methyl 3-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoate CAS Name: 3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoate Traditional Name: 3-(4-amino-6-anilino-s-triazin-2-yl)propionic acid (4-cyanobenzyl) ester Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N6O2/c21-12-14-6-8-15(9-7-14)13-28-18(27)11-10-17-24-19(22)26-20(25-17)23-16-4-2-1-3-5-16/h1-9H,10-11,13H2,(H3,22,23,24,25,26)