AC1NYXLE

1-[2-(cyclohexen-1-yl)ethyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one

Also Known As: (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|1-[2-(cyclohexen-1-yl)ethyl]-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Molecular Formula	C24H27N5O3S
Molecular Weight	465.18347 g/mol
LogP	4.05041
Topological Polar Surface Area	97.31 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	465.18347
Monoisotopic Mass	465.18347
Heavy Atoms	33
Complexity	1406.822

Chemical Identifiers

CAS Number	575459-80-2
SMILES	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(N(C(=S)NC3=O)CCC4=CCCCC4)O