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

6SC

Summary
Name:3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:C18 H14 Br N5
Formal charge:0
Formula weight:380.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
OpenEye OEToolkits1.5.03-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cnn2c(cc(nc12)c3ccccc3)NCc4ccncc4
SMILES_CANONICALCACTVS3.341Brc1cnn2c(NCc3ccncc3)cc(nc12)c4ccccc4
SMILESCACTVS3.341Brc1cnn2c(NCc3ccncc3)cc(nc12)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4
InChIInChI1.03InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12,21H,11H2
InChIKeyInChI1.03JECHSYMSTXETFI-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon