Compound Identification
SMILES
CN1C2=C(N(CCN3C(=O)C4C(NC(CC5=CNC6=CC=CC=C56)(C4C3=O)C(O)=O)C3=CC=C(Br)S3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=YPZPYYXLPIFLKY-UHFFFAOYSA-N
Formula
C29H26BrN7O6S
Mass
680.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
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
3-alkylindoles 6-oxopurines Alpha amino acids Alkaloids and derivatives Pyrrolidine carboxylic acids 2,5-disubstituted thiophenes Pyrimidones Aralkylamines Substituted pyrroles Pyrrolidine-2-ones N-substituted imidazoles N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl bromides Benzenoids Vinylogous amides Heteroaromatic compounds Dicarboximides Ureas Lactams Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid - Alpha-amino acid or derivatives - Purinone - 3-alkylindole - Indole - Indole or derivatives - Alkaloid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrimidone - Aralkylamine - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Carboxylic acid imide, n-substituted - N-substituted imidazole - Pyrimidine - Benzenoid - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - N-alkylpyrrolidine - Thiophene - Azole - Pyrrolidine - Vinylogous amide - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Pyrrole - Lactam - Amino acid or derivatives - Amino acid - Urea - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - 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