Compound Identification
SMILES
CN1C2=C(N3C(NN=C4C3=NC3=C4C=C(C=C3)[N+]([O-])=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=GTXNPNUGOPAMSY-UHFFFAOYSA-N
Formula
C15H10N8O4
Mass
366.297
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 Imidazo[2,1-c][1,2,4]triazines Indoles Nitroaromatic compounds Pyrimidones 1,2,4-triazines Benzenoids N-substituted imidazoles Vinylogous amides Pyrroles Heteroaromatic compounds Lactams Ureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Imidazo[2,1-c][1,2,4]triazine - Indole - Alkaloid or derivatives - Indole or derivatives - Nitroaromatic compound - Pyrimidone - N-substituted imidazole - 1,2,4-triazine - Pyrimidine - Benzenoid - Triazine - Vinylogous amide - Imidazole - Azole - Pyrrole - Heteroaromatic compound - Lactam - Organic nitro compound - C-nitro compound - Urea - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - 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