Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : A1AFC    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
2 InChIKey InChI 1.06 BAMPVSWRQZNDQC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Cc1sc(C)nc1C
4 SMILES CACTVS 3.385 Cc1sc(C)c(C)n1
5 SMILES OpenEye OEToolkits 2.0.7 Cc1c(sc(n1)C)C
6 Canonical SMILES CACTVS 3.385 Cc1sc(C)c(C)n1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(sc(n1)C)C