Compound Identification
SMILES
CN1C(OC2=CC=CC(\C=N/NC(N)=S)=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=KIKORFCQAOBWQT-LSCVHKIXSA-N
Formula
C16H17N7O3S
Mass
387.42
Taxonomic Classification
Taxonomy Tree
-
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
Diarylethers 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Pyrimidones Thiosemicarbazones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organosulfur compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Thiosemicarbazone - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Lactam - Urea - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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