Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0VV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12)
2 InChIKey InChI 1.03 NQQBFHZTZMKZCO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N
4 SMILES CACTVS 3.370 N[S](=O)(=O)N=C1NCc2ccccc2N1
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CNC(=NS(=O)(=O)N)N2
6 Canonical SMILES CACTVS 3.370 N[S](=O)(=O)N=C1NCc2ccccc2N1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2