Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : BYZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
2 InChIKey InChI 1.03 WVGCPEDBFHEHEZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Brc1cnnc1
4 SMILES CACTVS 3.370 Brc1c[nH]nc1
5 SMILES OpenEye OEToolkits 1.7.6 c1c(cn[nH]1)Br
6 Canonical SMILES CACTVS 3.370 Brc1c[nH]nc1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(cn[nH]1)Br