3-[2-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[1-[(4-fluorophenyl)carbamoyl]propylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(4-fluoroanilino)-1-oxobutan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[1-[(4-fluorophenyl)carbamoyl]propylthio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C18H20FN3O4S/c1-3-14(17(26)21-12-6-4-11(19)5-7-12)27-18-20-10(2)13(16(25)22-18)8-9-15(23)24/h4-7,14H,3,8-9H2,1-2H3,(H,21,26)(H,23,24)(H,20,22,25)