Basic information
- CAS
136632-07-0- Standard SMILES
Cc1c([Se]c2ccccc2)n(COCCO)c(=S)[nH]c1=O- InChIKey
CTPZRKVTHVQESD-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3SSe
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 372.00469
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylseleno)-2-thioxo-
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylselanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
136632-07-04(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylseleno)-2-thioxo-CHEMBL1135814(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylseleno)-2-thioxo-SCHEMBL9596822DTXSID00159865BDBM500080101-(2-hydroxyethoxymethyl)-5-methyl-6-phenylselanyl-2-thioxo-pyrimidin-4-one1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylselanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one1-[(2-Hydroxyethoxy)methyl]-5-methyl-6-(phenylselanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136632-07-0- PubChem CID
- 3000348
- DTXSID
DTXSID00159865- ChEMBL
CHEMBL113581- Nikkaji
- J448.805I
Properties
Computed structural properties
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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