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182

Summary
Name:1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C13 H14 N2 O4 Se
Formal charge:0
Formula weight:341.221 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-[(2-hydroxyethoxy)methyl]-5-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.01-(2-hydroxyethoxymethyl)-5-phenylselanyl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C([Se]c1ccccc1)=CN(C(=O)N2)COCCO
SMILES_CANONICALCACTVS3.341OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O
SMILESCACTVS3.341OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO
InChIInChI1.03InChI=1S/C13H14N2O4Se/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)
InChIKeyInChI1.03KFSPSGWABMNFIY-UHFFFAOYSA-N

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PDB entries from 2024-09-11

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