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

74U

Summary
Name:N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
Formula:C19 H15 N3 O
Formal charge:0
Formula weight:301.342 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
OpenEye OEToolkits2.0.5~{N}-(furan-2-ylmethyl)-2-phenyl-quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(nc(NCc1ccco1)c3c(n2)cccc3)c4ccccc4
InChIInChI1.03InChI=1S/C19H15N3O/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)
InChIKeyInChI1.03AZNLVBWSZDPKAA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(Nc1nc(nc2ccccc12)c3ccccc3)c4occc4
SMILESCACTVS3.385C(Nc1nc(nc2ccccc12)c3ccccc3)c4occc4
SMILES_CANONICALOpenEye OEToolkits2.0.5c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon