Compound Identification
SMILES
CN1N=NC2=C(N=CN2C1=O)C(N)=O.NC1=NC2=C(NC=N2)C(OCC2=CC=CC=C2)=N1
InChIKey
InChIKey=OAJKEGIORKGXPQ-UHFFFAOYSA-N
Formula
C18H17N11O3
Mass
435.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
-
Level 5
Purinones
- Level 6 Hypoxanthines
-
Level 5
Purinones
-
Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
Imidazotetrazines 2-heteroaryl carboxamides Carbonylimidazoles Aminopyrimidines and derivatives Alkyl aryl ethers Tetrazines N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Hypoxanthine - Imidazotetrazine - 2-heteroaryl carboxamide - Alkyl aryl ether - Aminopyrimidine - Imidazole-4-carbonyl group - Monocyclic benzene moiety - Benzenoid - Tetrazine - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available