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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

InChI

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