Compound Identification
SMILES
CCCN1C(=O)N(CCC2=CC=C(N)C=C2)C2=C(N(CCNCC(O)CC)C(CC3=CSC=C3)=N2)C1=O
InChIKey
InChIKey=NJFOIEYKBIKZPW-UHFFFAOYSA-N
Formula
C27H36N6O3S
Mass
524.68
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 Aniline and substituted anilines Pyrimidones N-substituted imidazoles Vinylogous amides Thiophenes Heteroaromatic compounds 1,2-aminoalcohols Ureas Secondary alcohols Lactams Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Thiophene - 1,2-aminoalcohol - Urea - Secondary alcohol - Lactam - Secondary amine - Azacycle - Secondary aliphatic amine - Organic oxide - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - 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