Compound Identification
SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1N=C(SCC(=O)C1=CC=C(C=C1)N=[N+]=[N-])N1C=CN=C21
InChIKey
InChIKey=SPZKDSFFAPBMHZ-NUEKZKHPSA-N
Formula
C20H21N8O13P3S
Mass
706.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Purines and purine derivatives Aryl alkyl ketones Phenylazides Benzoyl derivatives Alkylarylthioethers Monoalkyl phosphates Pyrimidines and pyrimidine derivatives N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Azo compounds Azo imides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Purine - Imidazopyrimidine - Phenylazide - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alkylarylthioether - Monoalkyl phosphate - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Alkyl phosphate - Oxolane - Azole - Heteroaromatic compound - Imidazole - Azo compound - Azo imide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Organic zwitterion - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available