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

Systemtic Name: 3-[2-[1-[(4-fluorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[1-[(4-fluorophenyl)carbamoyl]-2-methyl-propyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[1-[(4-fluorophenyl)carbamoyl]-2-methyl-propyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H22FN3O4S MolecularWeight: 407.459083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C(C)C)C(=O)NC2=CC=C(C=C2)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C(C)C)C(=O)NC2=CC=C(C=C2)F)CCC(=O)O

InChI

InChI=1S/C19H22FN3O4S/c1-10(2)16(18(27)22-13-6-4-12(20)5-7-13)28-19-21-11(3)14(17(26)23-19)8-9-15(24)25/h4-7,10,16H,8-9H2,1-3H3,(H,22,27)(H,24,25)(H,21,23,26)