Compound Identification
SMILES
CC1CN(CC2=NC3=C(N2CC2=CC=CC4=CC=CC=C24)C(=O)N(C)C(=O)N3C)CC(C)O1
InChIKey
InChIKey=OKELKRWGNXRJSN-UHFFFAOYSA-N
Formula
C25H29N5O3
Mass
447.539
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
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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 Pyrimidones Aralkylamines N-substituted imidazoles Morpholines Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Pyrimidone - Aralkylamine - Benzenoid - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Organic nitrogen 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