Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : J9H    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H13N2.C2H2.CH3.H2N.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-2;;;/h3-5,7-8H,6H2,1-2H3;1-2H;1H3;1H2;/q-1;;;-1;+3
2 InChIKey InChI 1.03 LXADSRPTCIXTGZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C
4 SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N
5 Canonical SMILES CACTVS 3.385 CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N