Compound Identification
SMILES
CN1C2=C(N(CCC3=CC=CC=C3)C(CN3CCN(CC3)C(=O)C3=CC=CO3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=CBISAXWWKWSWAO-UHFFFAOYSA-N
Formula
C25H28N6O4
Mass
476.537
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 Aralkylamines N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Pyrimidone - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Benzenoid - Azole - Furan - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Urea - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactam - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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