(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic 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 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C22H25N5O4/c1-14(2)12-30-17-10-9-15(11-18(17)29-3)20(28)31-13-19-25-21(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)