Compound Identification
SMILES
CCCCN1C2=C(N(CCC)C(CN3CCCSC3=NCCC3=CC=CC=C3)=N2)C(=O)NC1=O
InChIKey
InChIKey=DFPGGUZUZQRWJN-UHFFFAOYSA-N
Formula
C25H34N6O2S
Mass
482.65
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 Pyrimidones Thiazinanes Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - 1,3-thiazinane - Benzenoid - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Urea - Isothiourea - Lactam - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - 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