Compound Identification
SMILES
COC1=CC=C(CN2C(=O)N(C)C3=C(N(CC#CC)C(=N3)N3CCC[C@@H](N)C3)C2=O)C2=CC=CC=C12
InChIKey
InChIKey=HZLSPAMVOSFVEA-LJQANCHMSA-N
Formula
C27H30N6O3
Mass
486.576
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Naphthalenes Alkaloids and derivatives Anisoles Dialkylarylamines Alkyl aryl ethers Aminopiperidines Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Anisole - Dialkylarylamine - Phenol ether - Alkyl aryl ether - 3-aminopiperidine - Pyrimidone - Aminoimidazole - N-substituted imidazole - Benzenoid - Pyrimidine - Piperidine - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Lactam - Urea - Azacycle - Ether - Organic oxide - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - 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