Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MMZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
2 InChIKey InChI 1.03 PMRYVIKBURPHAH-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 S=C1N(C=CN1)C
4 SMILES CACTVS 3.341 CN1C=CNC1=S
5 SMILES OpenEye OEToolkits 1.5.0 CN1C=CNC1=S
6 Canonical SMILES CACTVS 3.341 CN1C=CNC1=S
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CN1C=CNC1=S