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284681-90-9 | 4(1H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)thio]-2-(1-methylpropoxy)-
CAS No: 284681-90-9 Catalog No: AG002VF7 MDL No:
Product Description
Catalog Number:
AG002VF7
Chemical Name:
4(1H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)thio]-2-(1-methylpropoxy)-
CAS Number:
284681-90-9
Molecular Formula:
C16H20N2O2S
Molecular Weight:
304.4072
IUPAC Name:
2-butan-2-yloxy-4-(3,5-dimethylphenyl)sulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H20N2O2S/c1-5-12(4)20-16-17-14(19)9-15(18-16)21-13-7-10(2)6-11(3)8-13/h6-9,12H,5H2,1-4H3,(H,17,18,19)
InChI Key:
HJFNKCVBJDDKLL-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(=O)cc([nH]1)Sc1cc(C)cc(c1)C)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.408g/mol
Monoisotopic Mass:
304.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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