4-Ethoxy-3-(1-methyl-3-propyl-7-thioxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride | CAS No. 479074-07-2

4-Ethoxy-3-(1-methyl-3-propyl-7-thioxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

Basic Information

CAS Number

479074-07-2

Molecular Formula

C17H19ClN4O3S2

Molecular Weight

426.95 g/mol

AD

Basic Physical Properties

O=S(C1=CC=C(OCC)C(C2=NC3=C(N(C)N=C3CCC)C(N2)=S)=C1)(Cl)=O

InChI

InChI=1S/C17H19ClN4O3S2/c1-4-6-12-14-15(22(3)21-12)17(26)20-16(19-14)11-9-10(27(18,23)24)7-8-13(11)25-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,26)

InChIKey

VLXMCAKSJJKKTL-UHFFFAOYSA-N

LogP

3.9715900000000026

Topological Polar Surface Area

89.87 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Synonyms & References

English

  • 4-Ethoxy-3-(1-methyl-3-propyl-7-thioxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chloride
  • 3-(6,7-Dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzenesulfonyl Chloride
  • 3-(6,7-Dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzenesulfonyl
  • 4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

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