3-amino-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione , CAS No.67304-67-0

CAS: 67304-67-0 Cat. No.: A669833 PubChem CID: 12458446

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: NC1=C2C(=NN1)N(C)C(=O)N(C)C2=O
• IUPAC Name: 3-amino-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
• InChIKey: DBOGCXGDFZVKCG-UHFFFAOYSA-N
• INCHI: 1S/C7H9N5O2/c1-11-5-3(4(8)9-10-5)6(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)
• PubChem CID: 12458446

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: Pyrazolo[3,4-d]pyrimidines Alkaloids and derivatives Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y