Compound Identification
SMILES
CC1(C)OC(O)=C(CCN2C=NC3=C2N=C(N)N=C3Cl)C(=O)O1
InChIKey
InChIKey=ZERSPSIEBVVXLZ-UHFFFAOYSA-N
Formula
C13H14ClN5O4
Mass
339.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
- 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
Purines and purine derivatives
Alternative Parents
Aminopyrimidines and derivatives Halopyrimidines Ketals Primary aromatic amines Aryl chlorides N-substituted imidazoles Vinylogous esters Vinylogous acids Enoate esters Heteroaromatic compounds Amino acids and derivatives Lactones Ketene acetals Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine - Aminopyrimidine - Halopyrimidine - Ketal - N-substituted imidazole - Primary aromatic amine - Pyrimidine - Aryl chloride - Aryl halide - Vinylogous ester - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Imidazole - Heteroaromatic compound - Azole - Ketene acetal or derivatives - Amino acid or derivatives - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
External Descriptors
Not available