Compound Identification
SMILES
CN1C2=C(N(CCN3C(=O)C4C(NC(CC5=CC=C(C=C5)[N+]([O-])=O)(C4C3=O)C(O)=O)C3=NC=CS3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=MLXAKEKJZMJZFQ-UHFFFAOYSA-N
Formula
C26H24N8O8S
Mass
608.59
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
Phenylpropanoic acids 6-oxopurines Alpha amino acids Amphetamines and derivatives Alkaloids and derivatives Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds Pyrimidones Aralkylamines Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides N-substituted imidazoles Vinylogous amides Thiazoles Dicarboximides Heteroaromatic compounds Amino acids Ureas Lactams Dialkylamines Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 3-phenylpropanoic-acid - 6-oxopurine - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Purinone - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - Pyrimidone - Pyrimidine - N-substituted imidazole - Benzenoid - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Azole - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Thiazole - Urea - Amino acid - Lactam - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - 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