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BMU

Summary
Name:1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA
Formula:C15 H19 Cl N4 O
Formal charge:0
Formula weight:306.791 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea
OpenEye OEToolkits1.5.03-(5-tert-butyl-2-methyl-pyrazol-3-yl)-1-(4-chlorophenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1cc(nn1C)C(C)(C)C)Nc2ccc(Cl)cc2
SMILES_CANONICALCACTVS3.341Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C
SMILESCACTVS3.341Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl
SMILESOpenEye OEToolkits1.5.0CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl
InChIInChI1.03InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyInChI1.03FWIJKWMXNHRSRO-UHFFFAOYSA-N

227111

數據於2024-11-06公開中

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