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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(5-isopropyl-2-methyl-phenoxy)acetate CAS Name: 2-(2-methyl-5-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-(2-methyl-5-propan-2-ylphenoxy)acetate Traditional Name: 2-(5-isopropyl-2-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=C(C=C1)C(C)C)OCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

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

InChI

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