(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3,4-dimethylphenoxy)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic 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-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-13-8-9-16(10-14(13)2)27-12-18(26)28-11-17-23-19(21)25-20(24-17)22-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)