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86944-31-2 | 2-[2-(acetylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]-2-oxo-1-(phenylsulfanyl)ethyl acetate
CAS No: 86944-31-2 Catalog No: AG004L4R MDL No:
Product Description
Catalog Number:
AG004L4R
Chemical Name:
2-[2-(acetylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]-2-oxo-1-(phenylsulfanyl)ethyl acetate
CAS Number:
86944-31-2
Molecular Formula:
C16H15N3O5S
Molecular Weight:
361.3724
IUPAC Name:
[2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)-2-oxo-1-phenylsulfanylethyl] acetate
InChI:
InChI=1S/C16H15N3O5S/c1-9(20)17-16-18-12(8-13(22)19-16)14(23)15(24-10(2)21)25-11-6-4-3-5-7-11/h3-8,15H,1-2H3,(H2,17,18,19,20,22)
InChI Key:
VOHMOEQEKWZEIE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(=O)cc([nH]1)C(=O)C(Sc1ccccc1)OC(=O)C
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.073g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.372g/mol
Monoisotopic Mass:
361.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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