79O

8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

Created:2012-03-05
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count33
Aromatic Bond Count16
2D diagram of 79O

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Chemical Component Summary

Name8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
Systematic Name (OpenEye OEToolkits)8-bromanyl-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
FormulaC16 H8 Br Cl N2 O2
Molecular Weight375.604
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4ccccc4C2=Nc1c3c(oc1C(=O)N2)ccc(Br)c3
SMILESCACTVS3.385Clc1ccccc1C2=Nc3c(oc4ccc(Br)cc34)C(=O)N2
SMILESOpenEye OEToolkits1.9.2c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl
Canonical SMILESCACTVS3.385 Clc1ccccc1C2=Nc3c(oc4ccc(Br)cc34)C(=O)N2
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl
InChIInChI1.03 InChI=1S/C16H8BrClN2O2/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)20-15(19-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,20,21)
InChIKeyInChI1.03 UGRPNQCFWPYERM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2035603
PubChem 135566645, 44229511
ChEMBL CHEMBL2035603