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

Systemtic Name: 3-[2-[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl]thio]-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:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC=C(C=C2)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC=C(C=C2)F)CCC(=O)O

InChI

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