Compound Identification
SMILES
COC1=C(OC)C=C(CCNCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=QCUOZDYABKOGBR-UHFFFAOYSA-N
Formula
C19H25N5O4
Mass
387.44
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 Dimethoxybenzenes Alkaloids and derivatives Phenethylamines Anisoles Phenoxy compounds Alkyl aryl ethers Pyrimidones Aralkylamines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Lactam - Urea - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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