Compound Identification
SMILES
CN1CCN(CC2=NC3=C(N2CC2=CC=C(C)C=C2)C(=O)N(C)C(=O)N3C)CC1
InChIKey
InChIKey=VGWVGMKDVHJSAV-UHFFFAOYSA-N
Formula
C21H28N6O2
Mass
396.495
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 Alkaloids and derivatives Aralkylamines Toluenes Pyrimidones N-methylpiperazines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Trialkylamines Ureas Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Toluene - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Benzenoid - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Tertiary amine - Urea - Tertiary aliphatic amine - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen 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