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

36I

Summary
Name:4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
Formula:C16 H15 N3 O S
Formal charge:0
Formula weight:297.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(morpholin-4-yl)-2-phenylthieno[3,2-d]pyrimidine
OpenEye OEToolkits1.7.64-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c3sccc3nc1c2ccccc2)N4CCOCC4
InChIInChI1.03InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)15-17-13-6-11-21-14(13)16(18-15)19-7-9-20-10-8-19/h1-6,11H,7-10H2
InChIKeyInChI1.03RBDRSWPTRGNKIG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370C1CN(CCO1)c2nc(nc3ccsc23)c4ccccc4
SMILESCACTVS3.370C1CN(CCO1)c2nc(nc3ccsc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon