(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(trifluoromethylsulfonyl)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(trifluoromethylsulfonyl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(trifluoromethylsulfonyl)propanoate CAS Name: 3-(trifluoromethylsulfonyl)propanoic 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 3-(trifluoromethylsulfonyl)propanoate Traditional Name: 3-triflylpropionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C14H14F3N5O4S MolecularWeight: 405.35227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H14F3N5O4S/c15-14(16,17)27(24,25)7-6-11(23)26-8-10-20-12(18)22-13(21-10)19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,18,19,20,21,22)