Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

UIH

Summary
Name:6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:C18 H14 Br N5
Formal charge:0
Formula weight:380.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
OpenEye OEToolkits1.7.66-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccccc3)cc4
InChIInChI1.03InChI=1S/C18H14BrN5/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(20)23-18(21)24-17(14)22-15/h1-9H,(H5,20,21,22,23,24)
InChIKeyInChI1.03BIHWLSDQBFEANX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4ccccc4)n1
SMILESCACTVS3.385Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4ccccc4)n1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N

222926

PDB entries from 2024-07-24

PDB statisticsPDBj update infoContact PDBjnumon