Compound Identification
SMILES
COC1=C(C=CC(C)=C1S)C1=NC2=NC(=O)N=CC2=N1
InChIKey
InChIKey=UXQNNEQNYNUMRS-UHFFFAOYSA-N
Formula
C13H10N4O2S
Mass
286.31
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
Thiophenols Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Imidazoles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Thiols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Thiophenol - Alkyl aryl ether - Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 2,5-dihydropyrimidine - Pyrimidine - Benzenoid - Imidazole - Ether - Azacycle - Arylthiol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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