Compound Identification
SMILES
CN1C2=C(N(C[C@H](O)COC3=CC4=CC=CC=C4C=C3)C(=N2)N2CCCC2)C(=O)N(C)C1=O
InChIKey
InChIKey=OJEFOWWSWWHIGB-SFHVURJKSA-N
Formula
C24H27N5O4
Mass
449.511
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 Naphthalenes Alkaloids and derivatives Dialkylarylamines Phenol ethers Alkyl aryl ethers Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Pyrrolidines Vinylogous amides Lactams Secondary alcohols Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - Aminoimidazole - N-substituted imidazole - Pyrimidine - Benzenoid - Pyrrolidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary alcohol - Lactam - Azacycle - Ether - Amine - Alcohol - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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