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Home > Pyridines > 1235438-83-1
1235438-83-1 | 5-ethyl-6-hydroxy-3-(pyridin-3-yl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
CAS No: 1235438-83-1 Catalog No: AG01A8H0 MDL No:MFCD16040052
Product Description
Catalog Number:
AG01A8H0
Chemical Name:
5-ethyl-6-hydroxy-3-(pyridin-3-yl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
CAS Number:
1235438-83-1
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
MDL Number:
MFCD16040052
IUPAC Name:
5-ethyl-6-hydroxy-1-pyridin-3-yl-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C11H11N3O2S/c1-2-8-9(15)13-11(17)14(10(8)16)7-4-3-5-12-6-7/h3-6,16H,2H2,1H3,(H,13,15,17)
InChI Key:
USIWRTOREYFWJF-UHFFFAOYSA-N
SMILES:
CCc1c(O)nc(n(c1=O)c1cccnc1)S
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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