Compound Identification
SMILES
CC#CCN1C(N(OC(=O)C(F)(F)F)C2=C1C(=O)N(C)C(SC(C)(C)C)=N2)N1CCNCC1
InChIKey
InChIKey=RUCFCHXFMGNXGU-UHFFFAOYSA-N
Formula
C20H27F3N6O3S
Mass
488.53
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 Pyrimidones Alkylarylthioethers N-alkylpiperazines Imidolactams Vinylogous amides Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Orthocarboxylic acid derivatives Ortho amides Lactams Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Aryl thioether - Dialkylarylamine - Pyrimidone - N-alkylpiperazine - Alkylarylthioether - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Tertiary amine - Amino acid or derivatives - Orthocarboxylic acid derivative - Ortho amide - Lactam - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl halide - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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