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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-5-[[3-(1-imidazolyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H18FN5O2S MolecularWeight: 387.431223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S)F

InChI

InChI=1S/C18H18FN5O2S/c19-14-4-2-13(3-5-14)11-24-17(26)15(16(25)22-18(24)27)10-20-6-1-8-23-9-7-21-12-23/h2-5,7,9-10,12,20H,1,6,8,11H2,(H,22,25,27)