Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)NP(O)(O)=O)N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=KKDONOVTNFZJLO-YNEHKIRRSA-N
Formula
C18H24N7O13P3
Mass
639.347
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
-
Level 5
Purinones
- Level 6 Hypoxanthines
-
Level 5
Purinones
-
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
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
6-oxopurines Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Pyrimidones Aminopyrimidines and derivatives Secondary alkylarylamines Monoalkyl phosphates N-substituted imidazoles Tetrahydrofurans Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Aminobenzoic acid or derivatives - Benzoate ester - Hypoxanthine - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Monoalkyl phosphate - Monocyclic benzene moiety - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Azole - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Azacycle - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - 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