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30A

Summary
Name:6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
Formula:C14 H10 Cl N3 O3
Formal charge:0
Formula weight:303.701 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
OpenEye OEToolkits1.7.05-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3cnn1c3nc(Cl)c(c1O)Cc2ccccc2
SMILES_CANONICALCACTVS3.370OC(=O)c1cnn2c(O)c(Cc3ccccc3)c(Cl)nc12
SMILESCACTVS3.370OC(=O)c1cnn2c(O)c(Cc3ccccc3)c(Cl)nc12
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl
InChIInChI1.03InChI=1S/C14H10ClN3O3/c15-11-9(6-8-4-2-1-3-5-8)13(19)18-12(17-11)10(7-16-18)14(20)21/h1-5,7,19H,6H2,(H,20,21)
InChIKeyInChI1.03AMDMCXLZDLJCSY-UHFFFAOYSA-N

222624

數據於2024-07-17公開中

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