2-(4-fluorophenyl)carbonyl-1-(2-methylsulfanylpyrimidin-4-yl)carbonyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: 2-(4-fluorophenyl)carbonyl-1-(2-methylsulfanylpyrimidin-4-yl)carbonyl-1,2-diazinane-3-carboxylic acid Openeye Name: 2-(4-fluorobenzoyl)-1-(2-methylsulfanylpyrimidine-4-carbonyl)hexahydropyridazine-3-carboxylic acid CAS Name: 2-[(4-fluorophenyl)-oxomethyl]-1-[[2-(methylthio)-4-pyrimidinyl]-oxomethyl]-3-diazinanecarboxylic acid IUPAC Name: 2-(4-fluorobenzoyl)-1-(2-methylsulfanylpyrimidine-4-carbonyl)diazinane-3-carboxylic acid Traditional Name: 2-(4-fluorobenzoyl)-1-[2-(methylthio)pyrimidine-4-carbonyl]hexahydropyridazine-3-carboxylic acid Formula: C18H17FN4O4S MolecularWeight: 404.415383

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C(=O)N2CCCC(N2C(=O)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)C(=O)N2CCCC(N2C(=O)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H17FN4O4S/c1-28-18-20-9-8-13(21-18)16(25)22-10-2-3-14(17(26)27)23(22)15(24)11-4-6-12(19)7-5-11/h4-9,14H,2-3,10H2,1H3,(H,26,27)