Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C
InChIKey
InChIKey=MPCMLKLBMSFTTJ-QRPMWFLTSA-N
Formula
C12H13N5O4
Mass
291.267
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 Aminopyrimidines and derivatives Pyrimidones Ynones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Acetylides Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Ynone - Azole - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Acetylide - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen 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