Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZQA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)
2 InChIKey InChI 1.03 RXFWINHPQUVOEC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CCc1csc(n1)c1[NH]cnc1
4 SMILES CACTVS 3.385 CCc1csc(n1)c2[nH]cnc2
5 SMILES OpenEye OEToolkits 2.0.7 CCc1csc(n1)c2cnc[nH]2
6 Canonical SMILES CACTVS 3.385 CCc1csc(n1)c2[nH]cnc2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CCc1csc(n1)c2cnc[nH]2