Compound Identification
SMILES
CN1C2=C(N(CCCNCC(O)C3=CC(CO)=C(O)C=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=XNGZKMBINSBRBB-UHFFFAOYSA-N
Formula
C19H25N5O5
Mass
403.439
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 Benzyl alcohols 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Aralkylamines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Ureas Lactams Dialkylamines Azacyclic compounds Organic oxides Aromatic alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzyl alcohol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - 1,2-aminoalcohol - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Primary 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