Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)[C@]1(O)C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=VYFYYESMHPKEAD-FMTVUPSXSA-N
Formula
C18H22N6O11P2
Mass
560.353
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
6-oxopurines Organic pyrophosphates Hypoxanthines Aniline and substituted anilines Phenylalkylamines Aryl alkyl ketones Benzoyl derivatives Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Monoalkyl phosphates N-substituted imidazoles Heteroaromatic compounds Oxolanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous amides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Organic pyrophosphate - Hypoxanthine - 6-oxopurine - Imidazopyrimidine - Purine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Monoalkyl phosphate - Alkyl phosphate - Benzenoid - Phosphoric acid ester - Organic phosphoric acid derivative - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Alpha-hydroxy ketone - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tertiary alcohol - Oxolane - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alcohol - Primary amine - 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