Compound Identification
SMILES
CN1C2=C(N(C[C@H](O)CO)C(NCCC3=CC=CC=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=HOCYOYSKWWWITN-ZDUSSCGKSA-N
Formula
C18H23N5O4
Mass
373.413
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 Secondary alkylarylamines Pyrimidones Aminoimidazoles Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams 1,2-diols Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Secondary aliphatic/aromatic amine - Aminoimidazole - Benzenoid - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Secondary alcohol - 1,2-diol - Lactam - Azacycle - Secondary amine - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Amine - Alcohol - 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