Basic information
- CAS
93150-45-9- Standard SMILES
CCOc1ccc(N2C(=O)C(N(CC)CC)C(=O)NC2=S)cc1- InChIKey
BMSLBYVTMXOVSM-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13036271
Names & identifiers
- Preferred name
- Barbituric acid, 5-(diethylamino)-1-(p-ethoxyphenyl)-2-thio-
- IUPAC
- 5-(diethylamino)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
93150-45-9BARBITURIC ACID, 5-(DIETHYLAMINO)-1-(p-ETHOXYPHENYL)-2-THIO-RefChem:1077599BRN 09334485-(Diethylamino)-1-(p-ethoxyphenyl)-2-thiobarbituric acid5-25-16-00096 (Beilstein Handbook Reference)DTXSID309186495-(Diethylamino)-3-(4-ethoxyphenyl)-6-hydroxy-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one
Database identifiers
- CAS
93150-45-9- PubChem CID
- 3033751
- DTXSID
DTXSID30918649- Nikkaji
- J62.441A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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