Compound Identification
SMILES
CN1C2=C(N=C3N=NC(C#N)C(=O)N23)C(=O)N(C)C1=O
InChIKey
InChIKey=RTEMOJHPCSBEAI-UHFFFAOYSA-N
Formula
C10H7N7O3
Mass
273.212
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Alpha amino acids and derivatives Alkaloids and derivatives Pyrimidones N-acylimidazoles 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Ureas Azo compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Nitriles Organic oxides Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - N-acylimidazole - Pyrimidone - N-substituted imidazole - Pyrimidine - Triazine - 1,2,4-triazine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Azo compound - Lactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - 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