Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : K6W    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)
2 InChIKey InChI 1.03 NINSVBHVKFSPEZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cc2c(cc(s2)C(=N)N)c3ccccc3
5 Canonical SMILES CACTVS 3.385 NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
6 Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N