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

Systemtic Name: 4-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-bromanyl-benzoate Openeye Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-bromo-benzoate CAS Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-bromobenzoate IUPAC Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-bromobenzoate Traditional Name: 4-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methoxy]-3-bromo-benzoate Formula: C13H13BrN5O3- MolecularWeight: 367.17802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC2=C(C=C(C=C2)C(=O)[O-])Br

InChI

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