 |
URF : Summary
Code 
|
URF
|
One-letter code 
|
X
|
Molecule name 
|
5-FLUOROURACIL
|
Systematic names 
|
|
Formula 
|
C4 H3 F N2 O2
|
Formal charge 
|
0
|
Molecular weight 
|
130.077 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
FC1=CNC(=O)NC1=O |
SMILES
|
CACTVS |
3.341 |
FC1=CNC(=O)NC1=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=C(C(=O)NC(=O)N1)F |
Canonical SMILES
|
CACTVS |
3.341 |
FC1=CNC(=O)NC1=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=C(C(=O)NC(=O)N1)F |
|
IUPAC InChI  | InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) |
IUPAC InChI key  | GHASVSINZRGABV-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
12 (9 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
1999-07-08
|
Last modified at 
|
2011-06-04
|
Status 
|
Released
|
Obsoleted 
|
Not Assigned
|
|