Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : WDL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
2 InChIKey InChI 1.03 ZFSLODLOARCGLH-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Oc1nc(O)nc(O)n1
4 SMILES CACTVS 3.385 Oc1nc(O)nc(O)n1
5 SMILES OpenEye OEToolkits 1.9.2 c1(nc(nc(n1)O)O)O
6 Canonical SMILES CACTVS 3.385 Oc1nc(O)nc(O)n1
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1(nc(nc(n1)O)O)O