Compound Identification
SMILES
COC1=CC=C(OC[C@H](O)CN2C(NCCCN3CCOCC3)=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=APHFGXRFUMJKRL-QGZVFWFLSA-N
Formula
C24H34N6O6
Mass
502.572
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
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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 Alkaloids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Morpholines Aminoimidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Pyrimidone - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Benzenoid - Pyrimidine - Aminoimidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Azacycle - Dialkyl ether - Ether - Oxacycle - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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