(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic 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 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21FN6O5S MolecularWeight: 488.492043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)F

InChI

InChI=1S/C21H21FN6O5S/c22-16-7-6-14(12-17(16)34(30,31)28-8-10-32-11-9-28)19(29)33-13-18-25-20(23)27-21(26-18)24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H3,23,24,25,26,27)