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

Systemtic Name: 1-(4-fluorophenyl)-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-fluorophenyl)-5-[(3-morpholinopropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-fluorophenyl)-5-[[3-(4-morpholinyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-fluorophenyl)-5-[(3-morpholin-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorophenyl)-5-[(3-morpholinopropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1CCCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O3S/c19-13-2-4-14(5-3-13)23-17(25)15(16(24)21-18(23)27)12-20-6-1-7-22-8-10-26-11-9-22/h2-5,12,20H,1,6-11H2,(H,21,24,27)