Compound Identification
SMILES
COC1=CC=CC(=C1)C1=CN2C(=NC3=C2C(=O)N(C)C(=O)N3C)N1CC1CCCO1
InChIKey
InChIKey=WUOINKOUOUUCIS-UHFFFAOYSA-N
Formula
C21H23N5O4
Mass
409.446
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Oxolanes Lactams Ureas Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Oxolane - Vinylogous amide - Urea - Lactam - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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