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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)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-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-13-9-14(2)19(15(3)10-13)29-12-18(27)28-11-17-24-20(22)26-21(25-17)23-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H3,22,23,24,25,26)