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

121

Summary
Name:2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:C13 H12 N5 O
Formal charge:1
Formula weight:254.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04amino[2-(3-hydroxypyridin-2-yl)-1H-benzimidazol-5-yl]methaniminium
OpenEye OEToolkits1.5.0[amino-[2-(3-hydroxypyridin-2-yl)-1H-benzimidazol-5-yl]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc3cccnc3c2nc1cc(ccc1n2)\C(=[NH2+])N
SMILES_CANONICALCACTVS3.341NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ncccc3O
SMILESCACTVS3.341NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ncccc3O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O
InChIInChI1.03InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)/p+1
InChIKeyInChI1.03FQCDQFDJHSXQKY-UHFFFAOYSA-O

223532

건을2024-08-07부터공개중

PDB statisticsPDBj update infoContact PDBjnumon