Compound Identification
SMILES
COC1=CC=C(NN=C2N3C(SC2=O)=NC2=C3C(=O)N(C)C(=O)N2C)C=C1
InChIKey
InChIKey=FWARPWPERVYERU-UHFFFAOYSA-N
Formula
C16H14N6O4S
Mass
386.39
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
-
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 Methoxyanilines Phenylhydrazines Phenoxy compounds Anisoles Aryl thioethers Methoxybenzenes Alkyl aryl ethers Pyrimidones N-substituted imidazoles Imidolactams Heteroaromatic compounds Carbothioic S-lactones Vinylogous amides Amidrazones Thioesters Ureas Lactams Hydrazones Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Imidolactam - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Carbothioic s-lactone - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Thiocarboxylic acid ester - Urea - Lactam - Carboxylic acid amidrazone - Thiocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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