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2-(5-azanyl-4-pyrrolidin-1-yl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone
SpectraBase Compound ID IYjRizDODRq
InChI InChI=1S/C21H28N6O2S2/c22-16-15-18(26-9-3-4-10-26)23-21(30-13-14(28)25-7-1-2-8-25)24-19(15)31-17(16)20(29)27-11-5-6-12-27/h1-13,22H2
InChIKey BHLFPPCWCOEGMD-UHFFFAOYSA-N
Mol Weight 460.62 g/mol
Molecular Formula C21H28N6O2S2
Exact Mass 460.171517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmabnfmkM6J
Name 2-(5-azanyl-4-pyrrolidin-1-yl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone
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Formula C21H28N6O2S2
InChI InChI=1S/C21H28N6O2S2/c22-16-15-18(26-9-3-4-10-26)23-21(30-13-14(28)25-7-1-2-8-25)24-19(15)31-17(16)20(29)27-11-5-6-12-27/h1-13,22H2
InChIKey BHLFPPCWCOEGMD-UHFFFAOYSA-N
Molecular Weight 460.615 g/mol
SMILES Nc1c2c(nc(nc2sc1C(N1CCCC1)=O)SCC(N1CCCC1)=O)N1CCCC1
SPLASH splash10-01r2-0059800000-85efc1c040034fee1bff
Source of Spectrum AJ-42-845-9
Synonyms 2-[5-amino-6-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone 2-[[5-amino-6-(pyrrolidine-1-carbonyl)-4-pyrrolidino-thieno[2,3-d]pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone 2-[[5-amino-6-[oxo(1-pyrrolidinyl)methyl]-4-(1-pyrrolidinyl)-2-thieno[2,3-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone
Wiley ID 1568023