Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 9XZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13)
2 InChIKey InChI 1.03 SYTWVNLAKXLKOD-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cn1nnc(n1)c2cc(cnc2N)c3cscc3
4 SMILES OpenEye OEToolkits 1.7.6 Cn1nc(nn1)c2cc(cnc2N)c3ccsc3
5 Canonical SMILES CACTVS 3.385 Cn1nnc(n1)c2cc(cnc2N)c3cscc3
6 Canonical SMILES OpenEye OEToolkits 1.7.6 Cn1nc(nn1)c2cc(cnc2N)c3ccsc3