Compound Identification
SMILES
CCC1=CC(OC[C@H](O)CN2C(NCC[NH+](C)C)=NC3=C2C(=O)N=C([O-])N3C)=CC=C1
InChIKey
InChIKey=FEGCGGIBQUYOHV-OAHLLOKOSA-N
Formula
C21H30N6O4
Mass
430.509
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alkylarylamines Pyrimidones Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Quaternary ammonium salts Secondary alcohols Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Azole - Imidazole - Vinylogous amide - Tertiary aliphatic amine - Secondary alcohol - Azacycle - Ether - Secondary amine - Organic zwitterion - Organic salt - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen 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