Compound Identification
SMILES
CN1C2=C(NC(CCNC(=O)C3=CC=CC=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=QONYYTKNTAWWBC-UHFFFAOYSA-N
Formula
C16H17N5O3
Mass
327.344
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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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
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Benzamides Benzoyl derivatives Pyrimidones Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzamide - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - 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