Compound Identification
SMILES
NC1=NC2=C(N(CC3=CC4=CC=CC=C4C=C3)C=N2)C(=O)N1CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BZTGNIWQQFQJKQ-UHFFFAOYSA-N
Formula
C23H18N6O3
Mass
426.436
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
6-oxopurines Naphthalenes Nitrobenzenes Nitroaromatic compounds Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Naphthalene - Hypoxanthine - Nitrobenzene - Nitroaromatic compound - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - C-nitro compound - Organic nitro compound - Lactam - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic salt - Hydrocarbon derivative - Organic oxide - 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