5-Amino-4-(allyllthio)-2-[(pyrrolidinylcarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylic Acid - Pyrrolidide - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	1U837hFkLlt
InChI	InChI=1S/C20H25N5O2S3/c1-2-11-28-17-14-15(21)16(19(27)25-9-5-6-10-25)30-18(14)23-20(22-17)29-12-13(26)24-7-3-4-8-24/h2H,1,3-12,21H2
InChIKey	VHJHVSDNHNEJMX-UHFFFAOYSA-N Google Search
Mol Weight	463.63 g/mol
Molecular Formula	C20H25N5O2S3
Exact Mass	463.117039 g/mol

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SpectraBase Spectrum ID	GlGH6gnwozG
Name	5-Amino-4-(allyllthio)-2-[(pyrrolidinylcarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylic Acid - Pyrrolidide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H25N5O2S3
InChI	InChI=1S/C20H25N5O2S3/c1-2-11-28-17-14-15(21)16(19(27)25-9-5-6-10-25)30-18(14)23-20(22-17)29-12-13(26)24-7-3-4-8-24/h2H,1,3-12,21H2
InChIKey	VHJHVSDNHNEJMX-UHFFFAOYSA-N
Molecular Weight	463.633 g/mol
SMILES	Nc1c(sc2nc(SCC(N3CCCC3)=O)nc(c12)SCC=C)C(N1CCCC1)=O
SPLASH	splash10-0ik9-0006900000-a8e42d2d7f8e683900b6
Source of Spectrum	AJ-42-844-6
Synonyms	2-[[5-amino-6-[oxo(1-pyrrolidinyl)methyl]-4-(prop-2-enylthio)-2-thieno[2,3-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone 2-[5-amino-4-prop-2-enylsulfanyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone 2-[4-allylsulfanyl-5-amino-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone 2-(5-azanyl-4-prop-2-enylsulfanyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone
Wiley ID	1568032