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 | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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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 |
Formula | C18 H14 N4 O |
Molecular Weight | 302.33 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
Canonical SMILES | CACTVS | 3.385 | [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
InChI | InChI | 1.06 | 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) |
InChIKey | InChI | 1.06 | QZBWRRCYSQGONG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 141025097 |