Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : AX8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
2 InChIKey InChI 1.03 JBNABAJVIVYIDA-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Clc1ccc(cc1Cl)Cn2c3ccccc3nc2N
4 SMILES CACTVS 3.341 Nc1nc2ccccc2n1Cc3ccc(Cl)c(Cl)c3
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N
6 Canonical SMILES CACTVS 3.341 Nc1nc2ccccc2n1Cc3ccc(Cl)c(Cl)c3
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N