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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H14FN5O2S MolecularWeight: 395.410163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C19H14FN5O2S/c20-12-6-7-14-11(8-12)9-15(28-14)17(26)27-10-16-23-18(21)25-19(24-16)22-13-4-2-1-3-5-13/h1-9H,10H2,(H3,21,22,23,24,25)