BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Dihydrouracil

Graphical representations:

Dihydrouracil image

Molecular Formula: C4 H6 N2 O2

Natural Isotopic Abundance Mass: 114.10264

Mono-Isotopic Molecular Masses:

  • C12N14: 114.0429274472
  • C13N14: 118.0563467984
  • C12N15: 116.0369972336
  • C13N15: 120.0504165848

InCHi String: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)

canonical and isomeric SMILES: C1CNC(=O)NC1=O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
1,3-diazinane-2,4-dione

PUBCHEM iupac TRADITIONAL NAME
5,6-dihydrouracil

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
hexahydropyrimidine-2,4-dione

PubChem Substance (SID):   85165214   1433808   6648
PubChem Compound (CID):   649
KEGG: Compound ID   C03919
CAS Registry IDs:   504-07-4
PDB Chemical Component   DUC
Miscellaneous Databases and IDs:   Sigma-Aldrich D7628_SIGMA   ChEBI CHEBI:15901   BioCyc DI-H-URACIL   ChemIDplus 000504074   ChemSpider 11365987   MMDB 38337.13   EINECS 207-982-1   ZINC ZINC00895228   DrugBank DB01849   ChemDB 3999582   NIST Chemistry WebBook 4083880093

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.