Compound Identification
SMILES
CN1C(CNC(=O)C2=CC=C(N)C=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=UEOBIWWOGPNVKF-UHFFFAOYSA-N
Formula
C16H18N6O3
Mass
342.359
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 Aminobenzamides Alkaloids and derivatives Benzamides Benzoyl derivatives Aniline and substituted anilines Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Aminobenzamide - Aminobenzoic acid or derivatives - Purinone - Benzamide - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen 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