4-azanyl-6-tert-butyl-3-[(3-fluorophenyl)amino]-2H-1,2,4-triazin-4-ium-5-one

Systemtic Name: 4-azanyl-6-tert-butyl-3-[(3-fluorophenyl)amino]-2H-1,2,4-triazin-4-ium-5-one Openeye Name: 4-amino-6-tert-butyl-3-(3-fluoroanilino)-2H-1,2,4-triazin-4-ium-5-one CAS Name: 4-amino-6-tert-butyl-3-(3-fluoroanilino)-2H-1,2,4-triazin-4-ium-5-one IUPAC Name: 4-amino-6-tert-butyl-3-(3-fluoroanilino)-2H-1,2,4-triazin-4-ium-5-one Traditional Name: 4-amino-6-tert-butyl-3-(3-fluoroanilino)-2H-1,2,4-triazin-4-ium-5-one Formula: C13H17FN5O+ MolecularWeight: 278.305383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=[N+](C1=O)N)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)(C)C1=NNC(=[N+](C1=O)N)NC2=CC(=CC=C2)F

InChI

InChI=1S/C13H16FN5O/c1-13(2,3)10-11(20)19(15)12(18-17-10)16-9-6-4-5-8(14)7-9/h4-7H,15H2,1-3H3,(H,16,18,20)/p+1