Compound Identification
SMILES
CN1C2=C(NC(CCCC3=CC=C(C=C3)[N+]([O-])=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=XEDGZYRGDFZVQZ-UHFFFAOYSA-N
Formula
C16H17N5O4
Mass
343.343
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 Xanthines
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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
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Nitrobenzenes Nitroaromatic compounds Pyrimidones Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Lactams 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
Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Lactam - Urea - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available