Methyl 5-amino-4-pipeidino-2-[(piperidinocarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylate

SpectraBase Compound ID	D5R3U90jPUj
InChI	InChI=1S/C20H27N5O3S2/c1-28-19(27)16-15(21)14-17(25-10-6-3-7-11-25)22-20(23-18(14)30-16)29-12-13(26)24-8-4-2-5-9-24/h2-12,21H2,1H3
InChIKey	COPUIEAPNSRLPD-UHFFFAOYSA-N Google Search
Mol Weight	449.59 g/mol
Molecular Formula	C20H27N5O3S2
Exact Mass	449.155532 g/mol

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SpectraBase Spectrum ID	2FKRpSPDEG
Name	Methyl 5-amino-4-pipeidino-2-[(piperidinocarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H27N5O3S2
InChI	InChI=1S/C20H27N5O3S2/c1-28-19(27)16-15(21)14-17(25-10-6-3-7-11-25)22-20(23-18(14)30-16)29-12-13(26)24-8-4-2-5-9-24/h2-12,21H2,1H3
InChIKey	COPUIEAPNSRLPD-UHFFFAOYSA-N
Molecular Weight	449.588 g/mol
SMILES	Nc1c2c(nc(nc2sc1C(=O)OC)SCC(N1CCCCC1)=O)N1CCCCC1
SPLASH	splash10-0007-0006900000-9bcfa26e67e6259e95f9
Source of Spectrum	AJ-42-845-8
Synonyms	5-amino-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester methyl 5-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate methyl 5-amino-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate methyl 5-azanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID	1568027