Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : M5H    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)
2 InChIKey InChI 1.03 UPWGIYRWPULZDG-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 C1CNC(N1)c2[nH]nc3ccccc23
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c([nH]n2)C3NCCN3
5 Canonical SMILES CACTVS 3.385 C1CNC(N1)c2[nH]nc3ccccc23
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c([nH]n2)C3NCCN3