1-butan-2-yl-5-[[(4-fluorophenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-butan-2-yl-5-[[(4-fluorophenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-fluoroanilino)methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butan-2-yl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butan-2-yl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(4-fluoroanilino)methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H16FN3O2S MolecularWeight: 321.369843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNC2=CC=C(C=C2)F)C(=O)NC1=S

Isomeric SMILES

CCC(C)N1C(=O)C(=CNC2=CC=C(C=C2)F)C(=O)NC1=S

InChI

InChI=1S/C15H16FN3O2S/c1-3-9(2)19-14(21)12(13(20)18-15(19)22)8-17-11-6-4-10(16)5-7-11/h4-9,17H,3H2,1-2H3,(H,18,20,22)