TW2
4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Created: | 2021-01-14 |
Last modified: | 2021-07-07 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 37 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Synonyms | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Systematic Name (OpenEye OEToolkits) | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Formula | C15 H13 F N6 |
Molecular Weight | 296.302 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N |
Canonical SMILES | CACTVS | 3.385 | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N |
InChI | InChI | 1.03 | InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21) |
InChIKey | InChI | 1.03 | BJAJDULYKUREBF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155928382 |