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7-chloro-1-methyl-5-(2-ethoxy-5-chlorosulfonylphenyl)-3-n-propyl-pyrazolo[4,3-d]pyrimidine
SpectraBase Compound ID Hp8N7uXcCmB
InChI InChI=1S/C17H18Cl2N4O3S/c1-4-6-12-14-15(23(3)22-12)16(18)21-17(20-14)11-9-10(27(19,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3
InChIKey GQADEKJTPVQFBK-UHFFFAOYSA-N
Mol Weight 429.32 g/mol
Molecular Formula C17H18Cl2N4O3S
Exact Mass 428.047667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gB3meOZq8z
Name 7-chloro-1-methyl-5-(2-ethoxy-5-chlorosulfonylphenyl)-3-n-propyl-pyrazolo[4,3-d]pyrimidine
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Formula C17H18Cl2N4O3S
InChI InChI=1S/C17H18Cl2N4O3S/c1-4-6-12-14-15(23(3)22-12)16(18)21-17(20-14)11-9-10(27(19,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3
InChIKey GQADEKJTPVQFBK-UHFFFAOYSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Molecular Weight 429.322 g/mol
SMILES c1(S(=O)(=O)Cl)ccc(c(-c2nc3c(c(n2)Cl)[n](nc3CCC)C)c1)OCC
SPLASH splash10-002f-0054900000-46e115c912b4510bf9d8
Source of Spectrum US20100048897A1
Wiley ID 1842076