WUL

8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE

Created:2012-03-20
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count39
Aromatic Bond Count10
2D diagram of WUL

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Chemical Component Summary

Name8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE
Synonyms(S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL)
Systematic Name (OpenEye OEToolkits)8-bromanyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
FormulaC15 H14 Br N3 O3
Molecular Weight364.194
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4
SMILESCACTVS3.385O[CH]1CCN(C1)CC2=Nc3c(oc4ccc(Br)cc34)C(=O)N2
SMILESOpenEye OEToolkits1.9.2c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CCC(C4)O
Canonical SMILESCACTVS3.385 O[C@H]1CCN(C1)CC2=Nc3c(oc4ccc(Br)cc34)C(=O)N2
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O
InChIInChI1.03 InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
InChIKeyInChI1.03 FRRLLRQAGKSVMU-VIFPVBQESA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2030376
PubChem 56965946, 135566648
ChEMBL CHEMBL2030376