Compound Identification
SMILES
O=C1NC(=S)N(CCCN2CCOCC2)C2=C1NC=N2
InChIKey
InChIKey=KXHLWWNYQWGEBN-UHFFFAOYSA-N
Formula
C12H17N5O2S
Mass
295.36
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Thioxanthines
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Subclass
Purines and purine derivatives
-
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
Thioxanthines
Alternative Parents
6-oxopurines 2-Thiopyrimidines Pyrimidinethiones Pyrimidones Morpholines Vinylogous amides Imidazoles Heteroaromatic compounds Lactams Trialkylamines Thioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinone - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Morpholine - Oxazinane - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Tertiary aliphatic amine - Thiourea - Tertiary amine - Oxacycle - Ether - Dialkyl ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.
External Descriptors
Not available