5-[(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-fluoro-4-(1-pyrrolidinyl)phenyl]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-fluoro-4-pyrrolidino-benzylidene)-1-(2-furfuryl)barbituric acid Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4)F

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4)F

InChI

InChI=1S/C20H18FN3O4/c21-17-11-14(23-7-1-2-8-23)6-5-13(17)10-16-18(25)22-20(27)24(19(16)26)12-15-4-3-9-28-15/h3-6,9-11H,1-2,7-8,12H2,(H,22,25,27)