Compound Identification
SMILES
CCC1=CC(OC[C@@H](O)CN2C(NN)=NC3=C2C(=O)NC(=O)N3C)=CC=C1
InChIKey
InChIKey=OPXDDQKANZUNEK-NSHDSACASA-N
Formula
C17H22N6O4
Mass
374.401
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Secondary alcohols Ureas Azacyclic compounds Hydrocarbon derivatives Hydrazines and derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Urea - Lactam - Azacycle - Ether - Alcohol - Hydrocarbon derivative - Hydrazine derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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