Account 1,3-Dimethyl-8-((pyridin-2-ylmethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
- Catalog No. :
- ACGLLE911
- CAS No. :
- 6466-14-4
- Molecular Formula :
- C13H13N5OS2
- Molecular Weight :
- 319.42
IUPAC Name:1,3-dimethyl-8-((pyridin-2-ylmethyl)thio)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
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Product Information
| Product Name | 1,3-Dimethyl-8-((pyridin-2-ylmethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one |
|---|---|
| IUPAC Name | 1,3-dimethyl-8-((pyridin-2-ylmethyl)thio)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one |
| Molecular Formula | C13H13N5OS2 |
| Molecular Weight | 319.42 |
| SMILES | O=C1N(C)C(N(C)C2=C1N=C(SCC3=NC=CC=C3)N2)=S |
| InChI Key | JEQRSEYZISVMFU-UHFFFAOYSA-N |
| Synonym | Theophylline, 8-((2-pyridylmethyl)thio)-2-thio- | NSC99663 | NSC-99663 | BA0N835VZI | MLS000737208 | 8-((2-Pyridylmethyl)thio)-2-thiotheophylline | 8-[(2-Pyridylmethyl)thio]-2-thiotheophylline | Theophylline, 8-[(2-pyridylmethyl)thio]-2-thio- | 1,2,3,9-Te |
| CAS No. | 6466-14-4 |
| PubChem CID | 97098 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACGLLE911 Molecular Building Block Synthetic Route
1,3-Dimethyl-8-((pyridin-4-ylmethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
1,3-Dimethyl-8-((pyridin-3-ylmethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
8-((2-Aminoethyl)thio)-1,3-dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one