Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CC=C(NC(=O)CC3=CC(OC)=C(OC)C=C3)C=C2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=COFIMVORJSBKCZ-UHFFFAOYSA-N
Formula
C27H31N5O5
Mass
505.575
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 Phenylacetamides Dimethoxybenzenes Alkaloids and derivatives Anilides Phenoxy compounds N-arylamides Anisoles Pyrimidones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - O-dimethoxybenzene - Dimethoxybenzene - Phenylacetamide - Alkaloid or derivatives - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Carboxamide group - Urea - Lactam - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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