Compound Identification
SMILES
CN1C=NC2=C1C(=O)N(CCCN1CCN(CC(O)CSC3=CC=CC=C3)CC1)C(=O)N2C
InChIKey
InChIKey=SUMABVIDRDXLFQ-UHFFFAOYSA-N
Formula
C23H32N6O3S
Mass
472.61
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 Pyrimidones N-alkylpiperazines Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Ureas Trialkylamines Secondary alcohols Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Thiophenol ether - Pyrimidone - N-alkylpiperazine - Alkylarylthioether - Benzenoid - Pyrimidine - N-substituted imidazole - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - 1,2-aminoalcohol - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Sulfenyl compound - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alcohol - Amine - 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