Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : AZG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)
2 InChIKey InChI 1.03 LPXQRXLUHJKZIE-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 n1c(O)c2c(nc1N)nnn2
4 SMILES CACTVS 3.341 Nc1nc(O)c2[nH]nnc2n1
5 SMILES OpenEye OEToolkits 1.5.0 c12c(nc(nc1O)N)nn[nH]2
6 Canonical SMILES CACTVS 3.341 Nc1nc(O)c2[nH]nnc2n1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c12c(nc(nc1O)N)nn[nH]2