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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)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 2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H20ClN5O3/c1-12-10-14(21)8-9-16(12)29-13(2)18(27)28-11-17-24-19(22)26-20(25-17)23-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H3,22,23,24,25,26)