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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C13H14BrN5O3 MolecularWeight: 368.18596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H14BrN5O3/c1-19(2)13-17-10(16-12(15)18-13)6-22-11(21)8-5-7(14)3-4-9(8)20/h3-5,20H,6H2,1-2H3,(H2,15,16,17,18)