Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2(O)CC3OC(C2)C=C3)C(=O)N(CCC)C1=O
InChIKey
InChIKey=XDSQMKAAVCCZBM-UHFFFAOYSA-N
Formula
C18H24N4O4
Mass
360.414
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 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 Pyrimidones Oxanes Vinylogous amides Dihydrofurans Heteroaromatic compounds Imidazoles Tertiary alcohols Lactams Ureas Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Oxane - Pyrimidine - Azole - Dihydrofuran - Imidazole - Tertiary alcohol - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Ether - Oxacycle - Dialkyl ether - Azacycle - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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