8-[2-(dimethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Basic information
- CAS
6492-90-6- Standard SMILES
CN(C)CCSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C- InChIKey
IJFJFRPLZGPBSN-UHFFFAOYSA-N- Molecular formula
- C11H17N5OS2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.08745253
Names & identifiers
- Preferred name
- 8-[2-(dimethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
- IUPAC
- 8-[2-(dimethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Names & synonyms
NSC996626492-90-6NCIOpen2_006462DTXSID00404423NSC-996628-{[2-(Dimethylamino)ethyl]sulfanyl}-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one
Database identifiers
- CAS
6492-90-6- PubChem CID
- 4575412
- DTXSID
DTXSID00404423
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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