Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0W1    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12)
2 InChIKey InChI 1.03 QRANSYHQSVJLHX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)c1sc2c(c1)c(nn2C)C
4 SMILES CACTVS 3.370 Cn1nc(C)c2cc(sc12)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 Cc1c2cc(sc2n(n1)C)C(=O)O
6 Canonical SMILES CACTVS 3.370 Cn1nc(C)c2cc(sc12)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c2cc(sc2n(n1)C)C(=O)O