ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-1,4,5,6-tetrahydropyrimidin-3-ium-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-1,4,5,6-tetrahydropyrimidin-3-ium-3-carboxylate Openeye Name: ethyl 2-[2-(4-fluorophenyl)hydrazino]-1,4,5,6-tetrahydropyrimidin-3-ium-3-carboxylate CAS Name: 2-[(4-fluorophenyl)hydrazo]-1,4,5,6-tetrahydropyrimidin-3-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-1,4,5,6-tetrahydropyrimidin-3-ium-3-carboxylate Traditional Name: 2-[N'-(4-fluorophenyl)hydrazino]-1,4,5,6-tetrahydropyrimidin-3-ium-3-carboxylic acid ethyl ester Formula: C13H18FN4O2+ MolecularWeight: 281.306023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=C(NCCC1)NNC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[N+]1=C(NCCC1)NNC2=CC=C(C=C2)F

InChI

InChI=1S/C13H17FN4O2/c1-2-20-13(19)18-9-3-8-15-12(18)17-16-11-6-4-10(14)5-7-11/h4-7,16H,2-3,8-9H2,1H3,(H,15,17)/p+1