Compound Identification
SMILES
CC(C)NC1=NC2=C(N1C[C@@H](O)COC1=CC3=CC=CC=C3C=C1)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=XPHSDWOMZRNDQZ-QGZVFWFLSA-N
Formula
C23H27N5O4
Mass
437.5
Taxonomic Classification
Taxonomy Tree
-
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 Phenol ethers Alkyl aryl ethers Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Secondary alcohols Ureas Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Phenol ether - Alkyl aryl ether - Pyrimidone - Aminoimidazole - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Secondary alcohol - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - 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