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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic 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-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C13H13ClFN5O2 MolecularWeight: 325.726023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFN5O2/c1-20(2)13-18-10(17-12(16)19-13)6-22-11(21)8-5-7(14)3-4-9(8)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19)