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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic 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 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C14H16FN5O2 MolecularWeight: 305.307543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N(C)C)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N(C)C)N)F

InChI

InChI=1S/C14H16FN5O2/c1-8-4-5-9(6-10(8)15)12(21)22-7-11-17-13(16)19-14(18-11)20(2)3/h4-6H,7H2,1-3H3,(H2,16,17,18,19)