Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CC=C(OCC(=O)NCCN)C=C2)C(=O)N(CCC)C1=S
InChIKey
InChIKey=JBLZGFXGTRVIRM-UHFFFAOYSA-N
Formula
C21H28N6O3S
Mass
444.55
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 Thioxanthines
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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
Thioxanthines
Alternative Parents
Phenylimidazoles 6-oxopurines Phenoxy compounds Phenol ethers Pyrimidones Pyrimidinethiones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Thioxanthine - 6-oxopurine - Phenol ether - Phenoxy compound - Alkyl aryl ether - Pyrimidone - Pyrimidinethione - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Imidazole - Vinylogous amide - Azole - Lactam - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Thiourea - Ether - Carboxylic acid derivative - Azacycle - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Primary amine - Organic oxygen compound - Amine - Hydrocarbon derivative - 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