2-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]-5-fluoranyl-benzoic acid Openeye Name: 2-[3-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]propoxy]-5-fluoro-benzoic acid CAS Name: 2-[3-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]propoxy]-5-fluorobenzoic acid IUPAC Name: 2-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]propoxy]-5-fluorobenzoic acid Traditional Name: 2-[3-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]propoxy]-5-fluoro-benzoic acid Formula: C20H25FN4O5 MolecularWeight: 420.434703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)F)C(=O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H25FN4O5/c1-22-17(13-18(26)23(2)20(22)29)25-9-7-24(8-10-25)6-3-11-30-16-5-4-14(21)12-15(16)19(27)28/h4-5,12-13H,3,6-11H2,1-2H3,(H,27,28)