Compound Identification
SMILES
Cl.COC1=C(OC)C=C(CCN(C)CCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=TWARVCJXXJWMBF-UHFFFAOYSA-N
Formula
C20H28ClN5O4
Mass
437.93
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 Aralkylamines Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Trialkylamines Lactams Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - O-dimethoxybenzene - Dimethoxybenzene - Alkaloid or derivatives - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Aralkylamine - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - 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