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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-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 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H10FN5O2S MolecularWeight: 319.314203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C=C(S2)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC2=C(C=C1F)C=C(S2)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C13H10FN5O2S/c14-7-1-2-8-6(3-7)4-9(22-8)11(20)21-5-10-17-12(15)19-13(16)18-10/h1-4H,5H2,(H4,15,16,17,18,19)