Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : 5V7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)
2 InChIKey InChI 1.03 JEHSMTZNFSEDBY-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Nc1scc(n1)c2nccc3C(=O)NC=Nc23
4 SMILES OpenEye OEToolkits 2.0.4 c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
5 Canonical SMILES CACTVS 3.385 Nc1scc(n1)c2nccc3C(=O)NC=Nc23
6 Canonical SMILES OpenEye OEToolkits 2.0.4 c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N