3-[2-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H20FN3O4S MolecularWeight: 393.432503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)F

InChI

InChI=1S/C18H20FN3O4S/c1-10-3-4-12(7-14(10)19)8-20-15(23)9-27-18-21-11(2)13(17(26)22-18)5-6-16(24)25/h3-4,7H,5-6,8-9H2,1-2H3,(H,20,23)(H,24,25)(H,21,22,26)