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189057-61-2 | 4(3H)-Pyrimidinone, 2-[(1-methylpropyl)thio]-6-(2-naphthalenylmethyl)-
CAS No: 189057-61-2 Catalog No: AG002HSR MDL No:
Product Description
Catalog Number:
AG002HSR
Chemical Name:
4(3H)-Pyrimidinone, 2-[(1-methylpropyl)thio]-6-(2-naphthalenylmethyl)-
CAS Number:
189057-61-2
Molecular Formula:
C19H20N2OS
Molecular Weight:
324.4399
IUPAC Name:
2-butan-2-ylsulfanyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C19H20N2OS/c1-3-13(2)23-19-20-17(12-18(22)21-19)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,12-13H,3,11H2,1-2H3,(H,20,21,22)
InChI Key:
VQGBUCJNARIXCH-UHFFFAOYSA-N
SMILES:
CCC(Sc1nc(Cc2ccc3c(c2)cccc3)cc(=O)[nH]1)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.442g/mol
Monoisotopic Mass:
324.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Dihydro(alkylthio)(naphthylmethyl)oxopyrimidines: novel non-nucleoside reverse transcriptase inhibitors of the S-DABO series. | Journal of medicinal chemistry 19970509 |
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