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5-Amino-2-[(2-tert-butoxy-2-keto-ethyl)thio]-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
SpectraBase Compound ID GoMuxBvczJ4
InChI InChI=1S/C22H32N4O4S2/c1-21(2,3)29-13(27)12-31-20-24-17(26-10-8-7-9-11-26)14-15(23)16(32-18(14)25-20)19(28)30-22(4,5)6/h7-12,23H2,1-6H3
InChIKey GYBDXTZIHWZNAA-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C22H32N4O4S2
Exact Mass 480.186498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qnyddVcVNX
Name 5-Amino-2-[(2-tert-butoxy-2-keto-ethyl)thio]-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
Alternate Name(s) 5-Amino-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester tert-Butyl 5-amino-2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate tert-Butyl 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate tert-Butyl 5-azanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate
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Formula C22H32N4O4S2
InChI InChI=1S/C22H32N4O4S2/c1-21(2,3)29-13(27)12-31-20-24-17(26-10-8-7-9-11-26)14-15(23)16(32-18(14)25-20)19(28)30-22(4,5)6/h7-12,23H2,1-6H3
InChIKey GYBDXTZIHWZNAA-UHFFFAOYSA-N
Molecular Weight 480.642 g/mol
SMILES Nc1c2c(nc(nc2N2CCCCC2)SCC(=O)OC(C)(C)C)sc1C(=O)OC(C)(C)C
SPLASH splash10-0089-0001900000-5c9ee90440a500d51649
Source of Spectrum AJ-42-845-9
Wiley ID 1568024