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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H12FN5O2 MolecularWeight: 277.254383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN5O2/c1-6-2-3-7(4-8(6)13)10(19)20-5-9-16-11(14)18-12(15)17-9/h2-4H,5H2,1H3,(H4,14,15,16,17,18)