Compound Identification
SMILES
CCCN1C(=O)N(CCC2=CC=C(N)C=C2)C2=C(N(CCN(CC)CCO)C(CC3=CSC=C3)=N2)C1=O
InChIKey
InChIKey=ISXXHDPLUXYZCD-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 Heteroaromatic compounds Vinylogous amides Thiophenes 1,2-aminoalcohols Lactams Trialkylamines Ureas Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
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 - Imidazole - Heteroaromatic compound - Thiophene - Vinylogous amide - Urea - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Lactam - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Alcohol - 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