[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H12FN5O3 MolecularWeight: 317.275183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H12FN5O3/c1-6-7-3-2-4-8(15)11(7)23-10(6)12(21)22-5-9-18-13(16)20-14(17)19-9/h2-4H,5H2,1H3,(H4,16,17,18,19,20)