Compound Identification
SMILES
CCN1C=NC2=C1C(=O)N(CC(=O)NC1=C(C=C(C)C=C1)[N+]([O-])=O)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=WLCNGDDDSVLKSF-UHFFFAOYSA-N
Formula
C23H22N6O5
Mass
462.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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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
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Anilides Nitrobenzenes Nitrotoluenes N-arylamides Nitroaromatic compounds Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Anilide - Nitrotoluene - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - N-arylamide - Toluene - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Urea - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available