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2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID 2dcpLUuMn4l
InChI InChI=1S/C18H21N3O4S2/c1-12-8-15(22)21-18(19-12)27-11-16(23)20-14(17(24)25-2)10-26-9-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKey VCVXQMWQPVRLIR-UHFFFAOYSA-N
Mol Weight 407.5 g/mol
Molecular Formula C18H21N3O4S2
Exact Mass 407.097349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2y5eX2SeFbi
Name 2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O4S2
InChI InChI=1S/C18H21N3O4S2/c1-12-8-15(22)21-18(19-12)27-11-16(23)20-14(17(24)25-2)10-26-9-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKey VCVXQMWQPVRLIR-UHFFFAOYSA-N
Molecular Weight 407.503 g/mol
SMILES N(C(CSC1=NC(=CC(N1)=O)C)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-000x-9610000000-3c817c7a0d06546fd132
Synonyms 3-(benzylthio)-2-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]propionic acid methyl ester Methyl 2-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate
Wiley ID 1512419