Compound Identification
SMILES
CN1C2=C(N(CC(N)=O)C(CN3CCN(CC4=CC=CC=C4)CC3)=N2)C(=O)NC1=O
InChIKey
InChIKey=CVEXGECQGJWSOD-UHFFFAOYSA-N
Formula
C20H25N7O3
Mass
411.466
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 Phenylmethylamines Benzylamines Pyrimidones Aralkylamines N-alkylpiperazines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Primary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzylamine - Phenylmethylamine - Pyrimidone - Aralkylamine - N-alkylpiperazine - Piperazine - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - 1,4-diazinane - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Amino acid or derivatives - Carboxamide group - Urea - Lactam - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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