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189057-53-2 | 4(3H)-Pyrimidinone, 2-(cyclopentylthio)-6-(1-naphthalenylmethyl)-
CAS No: 189057-53-2 Catalog No: AG002HSS MDL No:
Product Description
Catalog Number:
AG002HSS
Chemical Name:
4(3H)-Pyrimidinone, 2-(cyclopentylthio)-6-(1-naphthalenylmethyl)-
CAS Number:
189057-53-2
Molecular Formula:
C20H20N2OS
Molecular Weight:
336.4506
IUPAC Name:
2-cyclopentylsulfanyl-4-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C20H20N2OS/c23-19-13-16(21-20(22-19)24-17-9-2-3-10-17)12-15-8-5-7-14-6-1-4-11-18(14)15/h1,4-8,11,13,17H,2-3,9-10,12H2,(H,21,22,23)
InChI Key:
AOWDXFDHIHDNHD-UHFFFAOYSA-N
SMILES:
O=c1cc(nc([nH]1)SC1CCCC1)Cc1cccc2c1cccc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.453g/mol
Monoisotopic Mass:
336.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
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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