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5-Amino-4-(benzyllthio)-2-[(pyrrolidinylcarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylic Acid - Pyrrolidide
SpectraBase Compound ID 9QfAJWpyq7K
InChI InChI=1S/C24H27N5O2S3/c25-19-18-21(32-14-16-8-2-1-3-9-16)26-24(33-15-17(30)28-10-4-5-11-28)27-22(18)34-20(19)23(31)29-12-6-7-13-29/h1-3,8-9H,4-7,10-15,25H2
InChIKey CNFFGIAUAPIBQC-UHFFFAOYSA-N
Mol Weight 513.69 g/mol
Molecular Formula C24H27N5O2S3
Exact Mass 513.132689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8LEf0PIcLF
Name 5-Amino-4-(benzyllthio)-2-[(pyrrolidinylcarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylic Acid - Pyrrolidide
Alternate Name(s) 2-[[5-amino-6-[oxo(1-pyrrolidinyl)methyl]-4-(phenylmethylthio)-2-thieno[2,3-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone 2-[5-amino-4-benzylsulfanyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone 2-[5-amino-4-benzylsulfanyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone 2-[5-azanyl-4-(phenylmethylsulfanyl)-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone
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Formula C24H27N5O2S3
InChI InChI=1S/C24H27N5O2S3/c25-19-18-21(32-14-16-8-2-1-3-9-16)26-24(33-15-17(30)28-10-4-5-11-28)27-22(18)34-20(19)23(31)29-12-6-7-13-29/h1-3,8-9H,4-7,10-15,25H2
InChIKey CNFFGIAUAPIBQC-UHFFFAOYSA-N
Molecular Weight 513.693 g/mol
SMILES Nc1c(sc2nc(SCC(N3CCCC3)=O)nc(c12)SCc1ccccc1)C(N1CCCC1)=O
SPLASH splash10-03dl-7000190000-58b83f5a74f8c92f772f
Source of Spectrum AJ-42-844-6
Wiley ID 1568033