Compound Identification
SMILES
CCCN1C2=C(NC(C=CC3=CC(Br)=C(OC)C=C3)=N2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=ZHAMJBDOFNMBFM-UHFFFAOYSA-N
Formula
C20H23BrN4O3
Mass
447.333
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
-
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 Styrenes Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl bromide - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Lactam - Urea - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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