Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

URF : Summary

Code

URF

One-letter code

X

Molecule name

5-FLUOROURACIL

Systematic names

ProgramVersionName
ACDLabs 10.04 5-fluoropyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 5-fluoro-1H-pyrimidine-2,4-dione

Formula

C4 H3 F N2 O2

Formal charge

0

Molecular weight

130.077 Da

SMILES

TypeProgramVersionDescriptor
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
URF

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