Compound Identification
SMILES
Cl.COC1=C(OC)C=C(CCN=C(N)CCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=FOXNQVIHHKGASM-UHFFFAOYSA-N
Formula
C21H29ClN6O4
Mass
464.95
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 Dimethoxybenzenes Alkaloids and derivatives Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - O-dimethoxybenzene - Dimethoxybenzene - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Amidine - Carboxylic acid amidine - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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