Basic information
- Standard SMILES
COc1ncc(Cc2c[nH]c(=S)[nH]c2=O)cn1- InChIKey
QLFOEBFHJDHIQQ-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2S
- Average molar mass
- 250.28 g/mol
Names & identifiers
- Preferred name
- 5-(2-Methoxypyrimidin-5-ylmethyl)-2-thiouracil
- IUPAC
- 5-[(2-methoxypyrimidin-5-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
SCHEMBL4418371QLFOEBFHJDHIQQ-UHFFFAOYSA-N5-(2-Methoxypyrimidin-5-ylmethyl)-2-thiouracil5-((2-methoxypyrimidin-5-yl)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one5-(2-methoxy-pyrimidin-5-ylmethyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one5-{[2-(methyloxy)-5-pyrimidinyl]methyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
Database identifiers
- PubChem CID
- 21936244
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Related reactions
14 records
Compound notes
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