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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic 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 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C18H16BrN5O4 MolecularWeight: 446.25474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H16BrN5O4/c1-27-14-5-3-2-4-12(14)21-18-23-15(22-17(20)24-18)9-28-16(26)11-8-10(19)6-7-13(11)25/h2-8,25H,9H2,1H3,(H3,20,21,22,23,24)