Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : Q8N    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C15H17N7S/c1-10-4-3-5-11(8-10)18-14-20-12(19-13(16)21-14)9-23-15-17-6-7-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)
2 InChIKey InChI 1.06 AJMVTEFCEYDLAV-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2
4 SMILES OpenEye OEToolkits 3.1.0.0 Cc1cccc(c1)Nc2nc(nc(n2)N)CSc3nccn3C
5 Canonical SMILES CACTVS 3.385 Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2
6 Canonical SMILES OpenEye OEToolkits 3.1.0.0 Cc1cccc(c1)Nc2nc(nc(n2)N)CSc3nccn3C