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8-Ethyl-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SpectraBase Compound ID EXN6eofKvoO
InChI InChI=1S/C24H27N5O3S/c1-4-21-20-15-33-24(2,3)13-18(20)19(14-25)22(26-21)27-9-11-28(12-10-27)23(30)16-5-7-17(8-6-16)29(31)32/h5-8H,4,9-13,15H2,1-3H3
InChIKey HSROYFYDDYHASV-UHFFFAOYSA-N
Mol Weight 465.57 g/mol
Molecular Formula C24H27N5O3S
Exact Mass 465.183461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kd3zaubTmq1
Name 8-Ethyl-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
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Formula C24H27N5O3S
InChI InChI=1S/C24H27N5O3S/c1-4-21-20-15-33-24(2,3)13-18(20)19(14-25)22(26-21)27-9-11-28(12-10-27)23(30)16-5-7-17(8-6-16)29(31)32/h5-8H,4,9-13,15H2,1-3H3
InChIKey HSROYFYDDYHASV-UHFFFAOYSA-N
Molecular Weight 465.572 g/mol
SMILES c1(c(nc(c2c1CC(SC2)(C)C)CC)N1CCN(C(c2ccc(N(=O)=O)cc2)=O)CC1)C#N
SPLASH splash10-0gc0-2220900000-b69e4ac298470b22b860
Synonyms 8-Ethyl-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazino]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 8-Ethyl-3,3-dimethyl-6-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 8-Ethyl-3,3-dimethyl-6-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Wiley ID 1457747