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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)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-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-14(2)18-10-9-17(11-15(18)3)29-13-20(28)30-12-19-25-21(23)27-22(26-19)24-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3,(H3,23,24,25,26,27)