Compound Identification
SMILES
CC1=C(CSC2=NC(=O)NC3=C2NC=N3)C=CC=C1[N+]([O-])=O
InChIKey
InChIKey=XLRVGVQITGCOBU-UHFFFAOYSA-N
Formula
C13H11N5O3S
Mass
317.32
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
6-thiopurines Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Pyrimidones Alkylarylthioethers Heteroaromatic compounds Imidazoles Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - 6-thiopurine - Nitrotoluene - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrimidone - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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