Compound Identification
SMILES
CN1C2=C(N(C[C@@H](O)COC3=CC(C)=C(C)C=C3)C(NCC[NH+](C)C)=N2)C(=O)N=C1[O-]
InChIKey
InChIKey=TZXMAWYHVCLSOI-OAHLLOKOSA-N
Formula
C21H30N6O4
Mass
430.509
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 o-Xylenes 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 - Phenol ether - Phenoxy compound - Xylene - O-xylene - Pyrimidone - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Aminoimidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Quaternary ammonium salt - Tertiary aliphatic amine - Secondary alcohol - Ether - Azacycle - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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