Compound Identification
SMILES
COC1=CC(\C=C\C2=NC3=C(N2)C(=O)N(C)C(=O)N3C)=CC(OC)=C1OC
InChIKey
InChIKey=BPIQNFNKBYWCNB-VOTSOKGWSA-N
Formula
C18H20N4O5
Mass
372.381
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides 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 - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Lactam - Urea - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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