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

R7B

Summary
Name:8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one
Formula:C12 H15 N3 O
Formal charge:0
Formula weight:217.267 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.78-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H15N3O/c16-12-14-8-10(9-4-2-1-3-5-9)11-13-6-7-15(11)12/h6-9H,1-5H2,(H,14,16)
InChIKeyInChI1.03IRDDESQGXYVSBF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC=C(C2CCCCC2)c3nccn13
SMILESCACTVS3.385O=C1NC=C(C2CCCCC2)c3nccn13
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cn2c(n1)C(=CNC2=O)C3CCCCC3
SMILESOpenEye OEToolkits2.0.7c1cn2c(n1)C(=CNC2=O)C3CCCCC3

222926

PDB entries from 2024-07-24

PDB statisticsPDBj update infoContact PDBjnumon