Compound Identification
SMILES
O=C(CN1C(=O)N(CC2=CC=CC=C2)C2=C(N(CC3=CC=CC=C3)C=N2)C1=O)N1CCN(CC1)C(=O)C1=CC=CO1
InChIKey
InChIKey=NTRJMUIJZJFIAN-UHFFFAOYSA-N
Formula
C30H28N6O5
Mass
552.591
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 Piperazines Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Pyrimidone - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Benzenoid - Azole - Furan - Imidazole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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