Compound Identification
SMILES
CN1C2=C(N(CCC(O)N3CCN(CC3)C(=O)C3=CC=CO3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=MHTGQBXVRUQBIB-UHFFFAOYSA-N
Formula
C19H24N6O5
Mass
416.438
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 2-heteroaryl carboxamides Furoic acid and derivatives Pyrimidones N-alkylpiperazines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Ureas Lactams Hemiaminals Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Pyrimidone - N-alkylpiperazine - Pyrimidine - 1,4-diazinane - Piperazine - N-substituted imidazole - Furan - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Tertiary carboxylic acid amide - Carboxamide group - Hemiaminal - Lactam - Urea - Oxacycle - Alkanolamine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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