Compound Identification
SMILES
CCS([O-])(=O)=O.CN1CN(CSCCO)C2=C1C(=O)[NH+](C)C(N)=N2
InChIKey
InChIKey=BQDTZWVVZWNLAY-UHFFFAOYSA-N
Formula
C12H23N5O5S2
Mass
381.47
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
Alpha amino acids and derivatives Hydropyrimidines Vinylogous amides Alkanesulfonic acids Sulfonyls Quaternary ammonium salts Organosulfonic acids Imidazolines Secondary carboxylic acid amides Guanidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboximidamides Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic zwitterions Organic oxides
Molecular Framework
Not available
Substituents
Alpha-amino acid or derivatives - Purinone - Hydropyrimidine - 1,6-dihydropyrimidine - 4-imidazoline - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Guanidine - Secondary carboxylic acid amide - Carboximidamide - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Sulfenyl compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organosulfur compound - Primary alcohol - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aliphatic 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