Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PZA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
2 InChIKey InChI 1.03 IPEHBUMCGVEMRF-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(N)c1nccnc1
4 SMILES CACTVS 3.341 NC(=O)c1cnccn1
5 SMILES OpenEye OEToolkits 1.5.0 c1cnc(cn1)C(=O)N
6 Canonical SMILES CACTVS 3.341 NC(=O)c1cnccn1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnc(cn1)C(=O)N