Compound Identification
SMILES
COC1=CC=C(\C=N/NC2=NC3=C(N2CCO)C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=UIAKMUUNKWKBCK-ZDLGFXPLSA-N
Formula
C17H20N6O4
Mass
372.385
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 Alkaloids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Hydrazones Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Alkanolamine - Azacycle - Ether - Hydrazone - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen 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