Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : RZX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
2 InChIKey InChI 1.03 YREYEVIYCVEVJK-RUZDIDTESA-N
3 SMILES ACDLabs 12.01 O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
4 SMILES CACTVS 3.370 COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3n2)c1C
5 SMILES OpenEye OEToolkits 1.7.0 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC
6 Canonical SMILES CACTVS 3.370 COCCCOc1ccnc(C[S@@](=O)c2[nH]c3ccccc3n2)c1C
7 Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC