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

9I5

Summary
Name:4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol
Formula:C15 H13 N3 O2
Formal charge:0
Formula weight:267.283 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H13N3O2/c1-20-13-7-10(9-2-4-12(19)5-3-9)6-11-8-17-15(16)18-14(11)13/h2-8,19H,1H3,(H2,16,17,18)
InChIKeyInChI1.06XMZXPVWZSUCWOA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3
SMILESCACTVS3.385COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O
SMILESOpenEye OEToolkits2.0.7COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon