Compound Identification
SMILES
CN1C2=C(N(CC3=CSC(C)=N3)C(=N2)N2CCCNCC2)C(=O)NC1=O
InChIKey
InChIKey=DWIWTQLAKTVXBM-UHFFFAOYSA-N
Formula
C16H21N7O2S
Mass
375.45
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 Dialkylarylamines 1,4-diazepanes 2,4-disubstituted thiazoles Pyrimidones N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Dialkylamines Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - 1,4-diazepane - 2,4-disubstituted 1,3-thiazole - Diazepane - Pyrimidone - Aminoimidazole - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Thiazole - Azole - Imidazole - Urea - Lactam - Secondary amine - Azacycle - Secondary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen 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