1-(4-fluorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-fluorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-fluorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-fluorophenyl)-5-[[3-(1-imidazolyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-fluorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H16FN5O2S MolecularWeight: 373.404643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S)F

InChI

InChI=1S/C17H16FN5O2S/c18-12-2-4-13(5-3-12)23-16(25)14(15(24)21-17(23)26)10-19-6-1-8-22-9-7-20-11-22/h2-5,7,9-11,19H,1,6,8H2,(H,21,24,26)