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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic 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 (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N6O3/c1-13(29-16-9-7-14(11-21)8-10-16)18(27)28-12-17-24-19(22)26-20(25-17)23-15-5-3-2-4-6-15/h2-10,13H,12H2,1H3,(H3,22,23,24,25,26)/t13-/m1/s1