[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C15H12FN7O2 MolecularWeight: 341.299883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3)F

InChI

InChI=1S/C15H12FN7O2/c16-9-1-3-10(4-2-9)20-15-22-12(21-14(17)23-15)8-25-13(24)11-7-18-5-6-19-11/h1-7H,8H2,(H3,17,20,21,22,23)