Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : P2Z    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
2 InChIKey InChI 1.03 ZGUGWUXLJSTTMA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 S2c1ccccc1N(c3c2cccc3)CCCN(C)C
4 SMILES CACTVS 3.385 CN(C)CCCN1c2ccccc2Sc3ccccc13
5 SMILES OpenEye OEToolkits 1.7.6 CN(C)CCCN1c2ccccc2Sc3c1cccc3
6 Canonical SMILES CACTVS 3.385 CN(C)CCCN1c2ccccc2Sc3ccccc13
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CN(C)CCCN1c2ccccc2Sc3c1cccc3