4-[2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoyloxymethyl]benzoic acid

Systemtic Name: 4-[2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoyloxymethyl]benzoic acid Openeye Name: 4-[[2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetyl]oxymethyl]benzoic acid CAS Name: 4-[[2-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]-1-oxoethoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetyl]oxymethyl]benzoic acid Traditional Name: 4-[[2-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]acetyl]oxymethyl]benzoic acid Formula: C21H17FN4O5S MolecularWeight: 456.446883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H17FN4O5S/c22-14-5-7-15(8-6-14)25-19(28)16-9-24-21(26-18(16)23)32-11-17(27)31-10-12-1-3-13(4-2-12)20(29)30/h1-9H,10-11H2,(H,25,28)(H,29,30)(H2,23,24,26)