Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(CSC2=NC(=O)C3N=CN=C3N2)=C1
InChIKey
InChIKey=FFGHVEBPECDWDP-UHFFFAOYSA-N
Formula
C12H9N5O3S
Mass
303.3
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 Nitrobenzenes Nitroaromatic compounds Pyrimidones Imidolactams Hydropyrimidines Imidazoles N-acylimines Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Purinone - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Benzenoid - Imidazole - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Allyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Sulfenyl compound - Organic 1,3-dipolar compound - Carboximidamide - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen 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