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284681-82-9 | 4(3H)-Pyrimidinone, 3-methyl-6-(1-methylpropoxy)-2-(phenylthio)-
CAS No: 284681-82-9 Catalog No: AG002VFE MDL No:
Product Description
Catalog Number:
AG002VFE
Chemical Name:
4(3H)-Pyrimidinone, 3-methyl-6-(1-methylpropoxy)-2-(phenylthio)-
CAS Number:
284681-82-9
Molecular Formula:
C15H18N2O2S
Molecular Weight:
290.3806
IUPAC Name:
6-butan-2-yloxy-3-methyl-2-phenylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C15H18N2O2S/c1-4-11(2)19-13-10-14(18)17(3)15(16-13)20-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChI Key:
KAEFEAKJHGNTSG-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(Sc2ccccc2)n(c(=O)c1)C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.381g/mol
Monoisotopic Mass:
290.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies on potential non-nucleoside DABO-like inhibitors of HIV-1 reverse transcriptase. | Antiviral chemistry & chemotherapy 20000301 |
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