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183

Summary
Name:1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C21 H22 N2 O5
Formal charge:0
Formula weight:382.41 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.01-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
SMILES_CANONICALCACTVS3.341OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
SMILESCACTVS3.341OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
InChIInChI1.03InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
InChIKeyInChI1.03CSXNPJKDZKLDET-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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