ULZ

4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine

Created:2021-03-02
Last modified:  2022-02-02

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count16
2D diagram of ULZ

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Chemical Component Summary

Name4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
Systematic Name (OpenEye OEToolkits)4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
FormulaC18 H19 Br N4 O
Molecular Weight387.274
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)c2c1
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4
Canonical SMILESCACTVS3.385 Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4
InChIInChI1.03 InChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2
InChIKeyInChI1.03 LPEIQZYVQYBIQO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 162423101