Compound Identification
SMILES
CC#CCN1C(N(OC(=O)C(F)(F)F)C2=C1C(=O)N(C)C(NC(C)C)=N2)N1CCNCC1
InChIKey
InChIKey=HKEXJBMLVXJLSC-UHFFFAOYSA-N
Formula
C19H26F3N7O3
Mass
457.458
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Purinones
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Purinones
Alternative Parents
Dialkylarylamines Secondary alkylarylamines Pyrimidones N-alkylpiperazines Aminopyrimidines and derivatives Imidolactams Vinylogous amides Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Orthocarboxylic acid derivatives Ortho amides Amino acids and derivatives Lactams Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Pyrimidone - 1,4-diazinane - Piperazine - Imidolactam - Pyrimidine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Lactam - Ortho amide - Orthocarboxylic acid derivative - Tertiary amine - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available