Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

9XZ

Summary
Name:3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine
Formula:C11 H10 N6 S
Formal charge:0
Formula weight:258.302 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.63-(2-methyl-1,2,3,4-tetrazol-5-yl)-5-thiophen-3-yl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13)
InChIKeyInChI1.03SYTWVNLAKXLKOD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nnc(n1)c2cc(cnc2N)c3cscc3
SMILESCACTVS3.385Cn1nnc(n1)c2cc(cnc2N)c3cscc3
SMILES_CANONICALOpenEye OEToolkits1.7.6Cn1nc(nn1)c2cc(cnc2N)c3ccsc3
SMILESOpenEye OEToolkits1.7.6Cn1nc(nn1)c2cc(cnc2N)c3ccsc3

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon