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4-(Benzylthio)-5-amino-2-[(morpholinocarbonyl)methylthio]-pyrimidine-6-carboxyluic Acid - Morpholide
SpectraBase Compound ID 6MpWSeF7EfW
InChI InChI=1S/C24H27N5O4S3/c25-19-18-21(34-14-16-4-2-1-3-5-16)26-24(35-15-17(30)28-6-10-32-11-7-28)27-22(18)36-20(19)23(31)29-8-12-33-13-9-29/h1-5H,6-15,25H2
InChIKey PLYYXPAEXMFFHQ-UHFFFAOYSA-N
Mol Weight 545.69 g/mol
Molecular Formula C24H27N5O4S3
Exact Mass 545.122518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAk1hidC4bI
Name 4-(Benzylthio)-5-amino-2-[(morpholinocarbonyl)methylthio]-pyrimidine-6-carboxyluic Acid - Morpholide
Comments Less than 3 mono-isotopic peaks
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Formula C24H27N5O4S3
InChI InChI=1S/C24H27N5O4S3/c25-19-18-21(34-14-16-4-2-1-3-5-16)26-24(35-15-17(30)28-6-10-32-11-7-28)27-22(18)36-20(19)23(31)29-8-12-33-13-9-29/h1-5H,6-15,25H2
InChIKey PLYYXPAEXMFFHQ-UHFFFAOYSA-N
Molecular Weight 545.691 g/mol
SMILES Nc1c(sc2nc(SCC(N3CCOCC3)=O)nc(c12)SCc1ccccc1)C(N1CCOCC1)=O
SPLASH splash10-0002-0000190000-33069f2d577b271e5a5c
Source of Spectrum AJ-42-845-6
Synonyms 2-[[5-amino-6-[4-morpholinyl(oxo)methyl]-4-(phenylmethylthio)-2-thieno[2,3-d]pyrimidinyl]thio]-1-(4-morpholinyl)ethanone 2-[5-amino-4-benzylsulfanyl-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone 2-[5-amino-4-benzylsulfanyl-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone 2-[5-azanyl-6-morpholin-4-ylcarbonyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone
Wiley ID 1568029