2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-propyl-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-propyl-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-propyl-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-propyl-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-propylpyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-propyl-pyrimidin-1-yl]acetic acid Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

Isomeric SMILES

CCCC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

InChI

InChI=1S/C16H17FN2O3S/c1-2-3-12-8-19(9-14(20)21)16(18-15(12)22)23-10-11-4-6-13(17)7-5-11/h4-8H,2-3,9-10H2,1H3,(H,20,21)