Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : 10L    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
2 InChIKey InChI 1.03 OTFFCAGPSWJBDK-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2cc1cccc(c1n2)N
4 SMILES CACTVS 3.385 Nc1cccc2cn[nH]c12
5 SMILES OpenEye OEToolkits 1.9.2 c1cc2cn[nH]c2c(c1)N
6 Canonical SMILES CACTVS 3.385 Nc1cccc2cn[nH]c12
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc2cn[nH]c2c(c1)N