3-isopropyl-5-methylsulfanyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one - ≥97% , CAS No.1289139-29-2

CAS: 1289139-29-2 Cat. No.: I637543 Molecular Weight: 224.28 PubChem CID: 135741907

GRADE & PURITY ≥97%

Synonyms

1289139-29-2 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,6-dihydro-3-(1-methylethyl)-5-(methylthio)- | 3-isopropyl-5-methylsulfanyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one | 5-methylsulfanyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one | SCHEMBL18

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1289139-29-2 | 7H-Pyrazolo[4, 3-d]pyrimidin-7-one, 1, 6-dihydro-3-(1-methylethyl)-5-(methylthio)- | 3-isopropyl-5-methylsulfanyl-1, 6-dihydropyrazolo[4, 3-d]pyrimidin-7-one | 5-methylsulfanyl-3-propan-2-yl-2, 6-dihydropyrazolo[4, 3-d]pyrimidin-7-one | SCHEMBL18

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)C1=C2C(=NN1)C(=O)NC(=N2)SC
• IUPAC Name: 5-methylsulfanyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
• InChIKey: DXWAECBRMSCZCM-UHFFFAOYSA-N
• INCHI: 1S/C9H12N4OS/c1-4(2)5-6-7(13-12-5)8(14)11-9(10-6)15-3/h4H,1-3H3,(H,12,13)(H,10,11,14)
• PubChem CID: 135741907
• Molecular Weight: 224.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyrimidines
• Alternative Parents: Pyrimidones Alkylarylthioethers Vinylogous amides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyrimidine - Aryl thioether - Pyrimidone - Alkylarylthioether - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
• 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