QUZ
quinazoline
Created: | 2010-06-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 0 |
Bond Count | 17 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | quinazoline |
Systematic Name (OpenEye OEToolkits) | quinazoline |
Formula | C8 H6 N2 |
Molecular Weight | 130.147 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1c(cccc1)cnc2 |
SMILES | CACTVS | 3.370 | c1ccc2ncncc2c1 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cncn2 |
Canonical SMILES | CACTVS | 3.370 | c1ccc2ncncc2c1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cncn2 |
InChI | InChI | 1.03 | InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H |
InChIKey | InChI | 1.03 | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL301359 |
PubChem | 9210 |
ChEMBL | CHEMBL301359 |
ChEBI | CHEBI:36621 |
CCDC/CSD | QUINAZ, RUXQUW |