Compound Identification
SMILES
CN1C2=C3N(CC([S-])COC3=[N+](C)C1=O)C=N2
InChIKey
InChIKey=UCBMFOSQYNFIBD-UHFFFAOYSA-N
Formula
C10H12N4O2S
Mass
252.29
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 Purinones
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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
Purinones
Alternative Parents
Pyrimidones Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Alkyl aryl ether - Pyrimidone - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Urea - Ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic cation - 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