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RLXGELCQPJKWSC-UHFFFAOYSA-N
SpectraBase Compound ID z3KgYyfyUS
InChI InChI=1S/C18H19ClN4O4S/c1-4-5-13-14-15(23(3)22-13)18(24)21-17(20-14)12-8-11(28(19,25)26)7-10-6-9(2)27-16(10)12/h7-9H,4-6H2,1-3H3,(H,20,21,24)
InChIKey RLXGELCQPJKWSC-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C18H19ClN4O4S
Exact Mass 422.081554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0QWLJ64eag
Name 2-Methyl-7-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN4O4S
InChI InChI=1S/C18H19ClN4O4S/c1-4-5-13-14-15(23(3)22-13)18(24)21-17(20-14)12-8-11(28(19,25)26)7-10-6-9(2)27-16(10)12/h7-9H,4-6H2,1-3H3,(H,20,21,24)
InChIKey RLXGELCQPJKWSC-UHFFFAOYSA-N
Molecular Weight 422.887 g/mol
SMILES N1C(c2c(N=C1c1c3c(CC(O3)C)cc(S(=O)(=O)Cl)c1)c(n[n]2C)CCC)=O
SPLASH splash10-00e9-0418900000-84c41be8f99e9c5712e4
Source of Spectrum H1-55-1800-13
Synonyms 2-Methyl-7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride 2-Methyl-7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydrobenzofuran-5-sulfonyl chloride 7-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2-methyl-coumaran-5-sulfonyl chloride
Wiley ID 1564600