Compound Identification
SMILES
COC1=CC(C=CC1=O)=C(C)NNC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=ICGCHMHFEFTCPD-UHFFFAOYSA-N
Formula
C18H20N6O5
Mass
400.395
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 P-quinomethanes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - P-quinomethane - Quinomethane - Pyrimidone - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Cyclic ketone - Carboxylic acid hydrazide - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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