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977

Summary
Name:2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
Formula:C10 H8 Br N3 O
Formal charge:0
Formula weight:266.094 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-5-bromo-6-phenylpyrimidin-4-ol
OpenEye OEToolkits1.5.02-amino-5-bromo-6-phenyl-pyrimidin-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc2c(O)nc(nc2c1ccccc1)N
SMILES_CANONICALCACTVS3.341Nc1nc(O)c(Br)c(n1)c2ccccc2
SMILESCACTVS3.341Nc1nc(O)c(Br)c(n1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2c(c(nc(n2)N)O)Br
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2c(c(nc(n2)N)O)Br
InChIInChI1.03InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKeyInChI1.03CIUUIPMOFZIWIZ-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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