Compound Identification
SMILES
CC[NH+](CC)CCNC1=NC2=C(N1C[C@H](O)COCC=C)C(=O)N=C([O-])N2C
InChIKey
InChIKey=HWYNYNHTDZNJTI-ZDUSSCGKSA-N
Formula
C18H30N6O4
Mass
394.476
Taxonomic Classification
Taxonomy Tree
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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 Secondary alkylarylamines Pyrimidones Aminoimidazoles N-substituted imidazoles Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Secondary alcohols Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Pyrimidone - Secondary aliphatic/aromatic amine - Aminoimidazole - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Tertiary aliphatic amine - Secondary alcohol - Dialkyl ether - Ether - Azacycle - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxygen 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