2-[[2-cyclohexyl-1-(2-fluorophenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-cyclohexyl-1-(2-fluorophenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-cyclohexyl-1-(2-fluorophenyl)-6-hydroxy-4-oxo-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[2-cyclohexyl-1-(2-fluorophenyl)-6-hydroxy-4-oxo-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-cyclohexyl-1-(2-fluorophenyl)-6-hydroxy-4-oxopyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[2-cyclohexyl-1-(2-fluorophenyl)-6-hydroxy-4-keto-pyrimidine-5-carbonyl]amino]acetic acid Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=O)C(=C(N2C3=CC=CC=C3F)O)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=O)C(=C(N2C3=CC=CC=C3F)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H20FN3O5/c20-12-8-4-5-9-13(12)23-16(11-6-2-1-3-7-11)22-18(27)15(19(23)28)17(26)21-10-14(24)25/h4-5,8-9,11,28H,1-3,6-7,10H2,(H,21,26)(H,24,25)