Compound Identification
SMILES
[Cl-].CN1C(=O)N(C)C2=[N+](CC3=CC=CC=C3)C=NC(N)=C12
InChIKey
InChIKey=CAXLFIXTTVWLOL-UHFFFAOYSA-N
Formula
C14H16ClN5O
Mass
305.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 N-substituted imidazoles Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-aminopurine - Purinone - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Urea - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic chloride salt - Organic salt - Organic cation - 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