3-[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]propionic acid Formula: C14H12FN3O3S MolecularWeight: 321.326783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2)SCCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2)SCCC(=O)O)F

InChI

InChI=1S/C14H12FN3O3S/c15-10-1-3-11(4-2-10)18-13(21)9-7-16-14(17-8-9)22-6-5-12(19)20/h1-4,7-8H,5-6H2,(H,18,21)(H,19,20)