[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C19H18BrN5O4 MolecularWeight: 460.28132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)Br

InChI

InChI=1S/C19H18BrN5O4/c1-27-14-8-7-11(9-12(14)20)17(26)29-10-16-23-18(21)25-19(24-16)22-13-5-3-4-6-15(13)28-2/h3-9H,10H2,1-2H3,(H3,21,22,23,24,25)