UMZ

3-(2-pyrimidin-4-ylethyl)-1~{H}-indole

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

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count16
2D diagram of UMZ

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Chemical Component Summary

Name3-(2-pyrimidin-4-ylethyl)-1~{H}-indole
Systematic Name (OpenEye OEToolkits)3-(2-pyrimidin-4-ylethyl)-1~{H}-indole
FormulaC14 H13 N3
Molecular Weight223.273
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C(Cc1c[nH]c2ccccc12)c3ccncn3
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c[nH]2)CCc3ccncn3
Canonical SMILESCACTVS3.385 C(Cc1c[nH]c2ccccc12)c3ccncn3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)c(c[nH]2)CCc3ccncn3
InChIInChI1.03 InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2
InChIKeyInChI1.03 VEEXILNZSSXTHF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 11470115
ChEMBL CHEMBL195634