Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 3AP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2/p+1
2 InChIKey InChI 1.03 CUYKNJBYIJFRCU-UHFFFAOYSA-O
3 SMILES ACDLabs 10.04 Nc1ccc[nH+]c1
4 SMILES CACTVS 3.341 Nc1ccc[nH+]c1
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(c[nH+]c1)N
6 Canonical SMILES CACTVS 3.341 Nc1ccc[nH+]c1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c[nH+]c1)N