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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(2-methylpropoxy)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-isobutoxybenzoate CAS Name: 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 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-14(2)12-28-17-10-8-15(9-11-17)19(27)29-13-18-24-20(22)26-21(25-18)23-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H3,22,23,24,25,26)