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2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID DWkSL5pJSUB
InChI InChI=1S/C17H21N5O3S2/c1-25-16(24)12(9-26-8-11-5-3-2-4-6-11)20-15(23)10-27-17-21-13(18)7-14(19)22-17/h2-7,12H,8-10H2,1H3,(H,20,23)(H4,18,19,21,22)
InChIKey RPNDVTXUFKIAQC-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C17H21N5O3S2
Exact Mass 407.108582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qAXMzskyj5
Name 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
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Formula C17H21N5O3S2
InChI InChI=1S/C17H21N5O3S2/c1-25-16(24)12(9-26-8-11-5-3-2-4-6-11)20-15(23)10-27-17-21-13(18)7-14(19)22-17/h2-7,12H,8-10H2,1H3,(H,20,23)(H4,18,19,21,22)
InChIKey RPNDVTXUFKIAQC-UHFFFAOYSA-N
Molecular Weight 407.507 g/mol
SMILES N(C(CSc1nc(cc(n1)N)N)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-05nf-9801000000-79b43b260ccd978aa016
Synonyms 3-(benzylthio)-2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]propionic acid methyl ester Methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 3-benzylsulfanyl-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]propanoate
Wiley ID 1512257