6PB

6-(3-bromophenyl)-7H-purin-2-amine

Created:2011-03-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count27
Aromatic Bond Count17
2D diagram of 6PB

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Chemical Component Summary

Name6-(3-bromophenyl)-7H-purin-2-amine
Systematic Name (OpenEye OEToolkits)6-(3-bromophenyl)-7H-purin-2-amine
FormulaC11 H8 Br N5
Molecular Weight290.119
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc3cccc(c1nc(nc2ncnc12)N)c3
SMILESCACTVS3.370Nc1nc2nc[nH]c2c(n1)c3cccc(Br)c3
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N
Canonical SMILESCACTVS3.370 Nc1nc2nc[nH]c2c(n1)c3cccc(Br)c3
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N
InChIInChI1.03 InChI=1S/C11H8BrN5/c12-7-3-1-2-6(4-7)8-9-10(15-5-14-9)17-11(13)16-8/h1-5H,(H3,13,14,15,16,17)
InChIKeyInChI1.03 OBKRZWFDMHKSFJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53338880