Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : URC    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
2 InChIKey InChI 1.03 LEHOTFFKMJEONL-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C1C2=C(NC(=O)N1)NC(=O)N2
4 SMILES CACTVS 3.341 O=C1NC(=O)C2=C(N1)NC(=O)N2
5 SMILES OpenEye OEToolkits 1.5.0 C12=C(NC(=O)N1)NC(=O)NC2=O
6 Canonical SMILES CACTVS 3.341 O=C1NC(=O)C2=C(N1)NC(=O)N2
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C12=C(NC(=O)N1)NC(=O)NC2=O