9IK

~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

Created: 2021-11-12
Last modified:  2022-08-22

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count40
Aromatic Bond Count22
2D diagram of 9IK

Chemical Component Summary

Name~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC18 H14 N4 O
Molecular Weight302.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385[nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3
Canonical SMILESCACTVS3.385 [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3
InChIInChI1.06 InChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22)
InChIKeyInChI1.06 QZBWRRCYSQGONG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 141025097