Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CC=C(OCC(=O)NCCNC)C=C2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=NXMOODJMSBCCTB-UHFFFAOYSA-N
Formula
C22H30N6O4
Mass
442.52
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
-
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Urea - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen 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