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

Systemtic Name: 5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)barbituric acid Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C2C(=O)NC(=O)NC2=O)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=C2C(=O)NC(=O)NC2=O)F)N3CCCC3

InChI

InChI=1S/C16H16FN3O3/c1-9-6-13(20-4-2-3-5-20)12(17)8-10(9)7-11-14(21)18-16(23)19-15(11)22/h6-8H,2-5H2,1H3,(H2,18,19,21,22,23)