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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H12FN5O2S MolecularWeight: 333.340783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H12FN5O2S/c1-6-10-7(15)3-2-4-8(10)23-11(6)12(21)22-5-9-18-13(16)20-14(17)19-9/h2-4H,5H2,1H3,(H4,16,17,18,19,20)