2-(Ethylsulfanyl)ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
303137-07-7- Standard SMILES
CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cccc([N+](=O)[O-])c1- InChIKey
QQZRAIBGAPSQBE-UHFFFAOYSA-N- Molecular formula
- C17H21N3O5S
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.12019195
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
- English name
- 2-(ethylsulfanyl)ethyl 4-{3-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C17H21N3O5S
- Molecular weight
- 379.43074
Names & synonyms
2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate303137-07-72-(Ethylthio)ethyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-5-pyrimidinecarboxylateDTXSID301114746STK019498AKOS000655404AKOS0220787942-ethylsulfanylethyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylateAK-968/37044073SR-01000410020SR-01000410020-12-(ethylsulfanyl)ethyl 4-{3-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Database identifiers
- CAS
303137-07-7- PubChem CID
- 2864883
- DTXSID
DTXSID301114746
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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