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5-Amino-2-[(2-tert-butoxy-2-keto-ethyl)thio]-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
SpectraBase Compound ID E6E5GTpmyIJ
InChI InChI=1S/C21H30N4O4S2/c1-20(2,3)28-12(26)11-30-19-23-16(25-9-7-8-10-25)13-14(22)15(31-17(13)24-19)18(27)29-21(4,5)6/h7-11,22H2,1-6H3
InChIKey NAYNKXKIDXEOHR-UHFFFAOYSA-N
Mol Weight 466.62 g/mol
Molecular Formula C21H30N4O4S2
Exact Mass 466.170848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DLQgtm7Evr
Name 5-Amino-2-[(2-tert-butoxy-2-keto-ethyl)thio]-4-pyrrolidino-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-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester tert-Butyl 5-amino-2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate tert-Butyl 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate tert-Butyl 5-azanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate
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Formula C21H30N4O4S2
InChI InChI=1S/C21H30N4O4S2/c1-20(2,3)28-12(26)11-30-19-23-16(25-9-7-8-10-25)13-14(22)15(31-17(13)24-19)18(27)29-21(4,5)6/h7-11,22H2,1-6H3
InChIKey NAYNKXKIDXEOHR-UHFFFAOYSA-N
Molecular Weight 466.615 g/mol
SMILES Nc1c2c(nc(nc2N2CCCC2)SCC(=O)OC(C)(C)C)sc1C(=O)OC(C)(C)C
SPLASH splash10-0j4i-0002900000-67639a3e5ad28f13abff
Source of Spectrum AJ-42-845-9
Wiley ID 1568025