Compound Identification
SMILES
CN1C(NN2CCN(C)CC2)=NC2=C1C(=O)N(CC1=CC=C(Br)C=C1)C(=O)N2C
InChIKey
InChIKey=PGZPGTOFDIHHNT-UHFFFAOYSA-N
Formula
C19H24BrN7O2
Mass
462.352
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 Pyrimidones N-methylpiperazines Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Lactams Alkylhydrazines Azacyclic compounds Organic oxides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Bromobenzene - Halobenzene - Pyrimidone - N-methylpiperazine - N-alkylpiperazine - N-substituted imidazole - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Pyrimidine - Aryl bromide - Aryl halide - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Azacycle - Alkylhydrazine - Hydrocarbon derivative - Hydrazine derivative - Amine - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - 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