Compound Identification
SMILES
O=C1NC2=CN=C(N=C2N1C1CCOC2=CC=CC=C12)N1C=NC2=CC=CC=C12
InChIKey
InChIKey=IYQNSOWQLSAIBF-UHFFFAOYSA-N
Formula
C21H16N6O2
Mass
384.399
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 Purinones
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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
Purinones
Alternative Parents
1-benzopyrans Benzimidazoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromane - Benzopyran - Purinone - 1-benzopyran - Benzimidazole - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Urea - Azacycle - Ether - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available