ethyl 4-azanyl-2-[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(2-fluorobenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[(2-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[N'-(2-fluorobenzoyl)hydrazino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16FN5O4S MolecularWeight: 393.392743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NNC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NNC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C16H16FN5O4S/c1-2-26-15(25)10-7-19-16(20-13(10)18)27-8-12(23)21-22-14(24)9-5-3-4-6-11(9)17/h3-7H,2,8H2,1H3,(H,21,23)(H,22,24)(H2,18,19,20)