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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C15H14FN5O2S MolecularWeight: 347.367363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C15H14FN5O2S/c1-21(2)15-19-12(18-14(17)20-15)7-23-13(22)11-6-8-9(16)4-3-5-10(8)24-11/h3-6H,7H2,1-2H3,(H2,17,18,19,20)