[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-butoxybenzoate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-butoxybenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C22H25N5O3/c1-3-4-13-29-17-11-9-16(10-12-17)20(28)30-14-19-25-21(23)27-22(26-19)24-18-8-6-5-7-15(18)2/h5-12H,3-4,13-14H2,1-2H3,(H3,23,24,25,26,27)