AC1NXJ8B

1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one

Also Known As: (5E)-1-(4-fluorobenzyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|(E)-5-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|1-(4-Fluoro-benzyl)-5-[1-(3-imidazol-1-yl-propylamino)-meth-(E)-ylidene]-2-thioxo-dihydro-pyrimidine-4, 6-dione|1-[(4-fluorophenyl)methyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Molecular Formula	C18H18FN5O2S
Molecular Weight	387.11652 g/mol
LogP	2.50459
Topological Polar Surface Area	88.2 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	387.11652
Monoisotopic Mass	387.11652
Heavy Atoms	27
Complexity	1039.1042

Chemical Identifiers

CAS Number	674366-99-5
SMILES	C1=CC(=CC=C1CN2C(=C(C(=O)NC2=S)C=NCCCN3C=CN=C3)O)F