Compound Identification
SMILES
NC1=NC(SCCOCCO)=NC2=C1NC(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=DFBFGDITSPIEHO-UHFFFAOYSA-N
Formula
C16H19N5O3S
Mass
361.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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
6-aminopurines Aminopyrimidines and derivatives Alkylarylthioethers N-substituted imidazoles Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Ureas Sulfenyl compounds Dialkyl ethers Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-aminopurine - Purinone - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Imidolactam - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Urea - Dialkyl ether - Ether - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - 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