Compound Identification
SMILES
CC1=NC(=O)C2=C(N1)N=C1SC(=CC3=CC=C(C=C3)N(CCCl)CCCl)C(=O)N21
InChIKey
InChIKey=WBNHMNVTLIHDLH-UHFFFAOYSA-N
Formula
C19H17Cl2N5O2S
Mass
450.34
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
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Level 5
Purinones
- Level 6 Hypoxanthines
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Level 5
Purinones
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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
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
6-oxopurines Aniline and substituted anilines Dialkylarylamines Nitrogen mustard compounds Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Thiazoles Lactams Azacyclic compounds Organochlorides Hydrocarbon derivatives Organooxygen compounds Alkyl chlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Nitrogen mustard - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Thiazole - Lactam - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available