Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : JFP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)
2 InChIKey InChI 1.03 AIOZNYOAFODHNA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CCC(=O)Nc1nc(cs1)C
4 SMILES CACTVS 3.385 CCC(=O)Nc1scc(C)n1
5 SMILES OpenEye OEToolkits 2.0.6 CCC(=O)Nc1nc(cs1)C
6 Canonical SMILES CACTVS 3.385 CCC(=O)Nc1scc(C)n1
7 Canonical SMILES OpenEye OEToolkits 2.0.6 CCC(=O)Nc1nc(cs1)C