Compound Identification
SMILES
Cl.Cl.CN1C2=C(N(CCCN3CCN(CCCSC4=CC=CC=C4)CC3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=SNSXPTBROGHZNQ-UHFFFAOYSA-N
Formula
C23H34Cl2N6O2S
Mass
529.53
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 Thiophenol ethers Alkylarylthioethers N-alkylpiperazines Pyrimidones N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Vinylogous amides Ureas Lactams Trialkylamines Azacyclic compounds Sulfenyl compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Thiophenol ether - Pyrimidone - Alkylarylthioether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Pyrimidine - N-substituted imidazole - Benzenoid - Piperazine - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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