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5-[3-Ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)-2-thienyl]-1-methyl-3-propyl-6,7-dihydro-1Hpyrazolo[4,3-d]pyrimidin-7-one
SpectraBase Compound ID 1D4U2LKy7VN
InChI InChI=1S/C20H28N6O4S2/c1-5-7-13-16-17(25(4)23-13)20(27)22-19(21-16)18-14(30-6-2)12-15(31-18)32(28,29)26-10-8-24(3)9-11-26/h12H,5-11H2,1-4H3,(H,21,22,27)
InChIKey KMCBIGPUUPURLU-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C20H28N6O4S2
Exact Mass 480.161346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zvXsXOi2QA
Name 5-[3-Ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)-2-thienyl]-1-methyl-3-propyl-6,7-dihydro-1Hpyrazolo[4,3-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N6O4S2
InChI InChI=1S/C20H28N6O4S2/c1-5-7-13-16-17(25(4)23-13)20(27)22-19(21-16)18-14(30-6-2)12-15(31-18)32(28,29)26-10-8-24(3)9-11-26/h12H,5-11H2,1-4H3,(H,21,22,27)
InChIKey KMCBIGPUUPURLU-UHFFFAOYSA-N
Molecular Weight 480.602 g/mol
SMILES N1C(c2c(N=C1c1sc(S(N3CCN(CC3)C)(=O)=O)cc1OCC)c(n[n]2C)CCC)=O
SPLASH splash10-0002-9000000000-f69f20d417553d577b56
Source of Spectrum H1-53-2650-3
Synonyms 5-[3-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-thiophen-2-yl]-1-methyl-3-propyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
Wiley ID 818053