LZM
PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Created: | 2008-05-15 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 0 |
Bond Count | 16 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE |
Systematic Name (OpenEye OEToolkits) | pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Formula | C7 H4 N4 |
Molecular Weight | 144.133 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc1cnn2cccnc12 |
SMILES | CACTVS | 3.341 | N#Cc1cnn2cccnc12 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc2c(cnn2c1)C#N |
Canonical SMILES | CACTVS | 3.341 | N#Cc1cnn2cccnc12 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc2c(cnn2c1)C#N |
InChI | InChI | 1.03 | InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H |
InChIKey | InChI | 1.03 | RRHORVAOECWFPT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 819275 |
ChEMBL | CHEMBL503917 |