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

AUG

Summary
Name:6-(3-bromophenyl)pteridine-2,4,7-triamine
Formula:C12 H10 Br N7
Formal charge:0
Formula weight:332.159 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(3-bromophenyl)pteridine-2,4,7-triamine
OpenEye OEToolkits2.0.46-(3-bromophenyl)pteridine-2,4,7-triamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(N)nc2c(c1N)nc(c(n2)N)c3cccc(c3)Br
InChIInChI1.03InChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
InChIKeyInChI1.03UWFFWZGQGRBIBG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc(N)c2nc(c(N)nc2n1)c3cccc(Br)c3
SMILESCACTVS3.385Nc1nc(N)c2nc(c(N)nc2n1)c3cccc(Br)c3
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N
SMILESOpenEye OEToolkits2.0.4c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N

224201

PDB entries from 2024-08-28

PDB statisticsPDBj update infoContact PDBjnumon