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

VWN

Summary
Name:2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one
Formula:C17 H19 N5 O2
Formal charge:0
Formula weight:325.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
OpenEye OEToolkits1.9.22-[(1-methylbenzimidazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(N=C(N1)Cc3nc2ccccc2n3C)N4CCOCC4
InChIInChI1.03InChI=1S/C17H19N5O2/c1-21-13-5-3-2-4-12(13)18-15(21)10-14-19-16(11-17(23)20-14)22-6-8-24-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,20,23)
InChIKeyInChI1.03XLESLWHDVUIEMT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1c(CC2=NC(=CC(=O)N2)N3CCOCC3)nc4ccccc14
SMILESCACTVS3.385Cn1c(CC2=NC(=CC(=O)N2)N3CCOCC3)nc4ccccc14
SMILES_CANONICALOpenEye OEToolkits1.9.2Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4
SMILESOpenEye OEToolkits1.9.2Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon