Compound Identification
SMILES
CC[C@H]1O[C@@H](CN2C=NC3=C2N=C(C)N=C3OCCC2=CC=C(C=C2)[N+]([O-])=O)C[C@H]1C
InChIKey
InChIKey=IGUKQZJPVVIQCK-NIKGAXFTSA-N
Formula
C22H27N5O4
Mass
425.489
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
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Level 5
Purinones
- Level 6 Hypoxanthines
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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
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Oxolanes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hypoxanthine - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Oxolane - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Azacycle - Organic oxoazanium - Oxacycle - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available