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

Systemtic Name: 5-[(3-fluoranyl-4-piperidin-1-yl-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-fluoro-4-(1-piperidyl)phenyl]methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-fluoro-4-(1-piperidinyl)phenyl]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-fluoro-4-piperidino-benzylidene)-1-(2-furfuryl)barbituric acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4)F

InChI

InChI=1S/C21H20FN3O4/c22-17-12-14(6-7-18(17)24-8-2-1-3-9-24)11-16-19(26)23-21(28)25(20(16)27)13-15-5-4-10-29-15/h4-7,10-12H,1-3,8-9,13H2,(H,23,26,28)