182

1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-2,4(1H,3H)-DIONE

Created:2004-08-09
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count12
2D diagram of 182

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Chemical Component Summary

Name1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)1-(2-hydroxyethoxymethyl)-5-phenylselanyl-pyrimidine-2,4-dione
FormulaC13 H14 N2 O4 Se
Molecular Weight341.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C([Se]c1ccccc1)=CN(C(=O)N2)COCCO
SMILESCACTVS3.341OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO
Canonical SMILESCACTVS3.341 OCCOCN1C=C([Se]c2ccccc2)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO
InChIInChI1.03 InChI=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)
InChIKeyInChI1.03 KFSPSGWABMNFIY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3081326