1-(3-fluorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-fluorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-fluorophenyl)-5-[(5-phenylsulfanyl-2-furyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-fluorophenyl)-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-fluorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-fluorophenyl)-5-[[5-(phenylthio)-2-furyl]methylene]barbituric acid Formula: C21H13FN2O4S MolecularWeight: 408.402323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H13FN2O4S/c22-13-5-4-6-14(11-13)24-20(26)17(19(25)23-21(24)27)12-15-9-10-18(28-15)29-16-7-2-1-3-8-16/h1-12H,(H,23,25,27)