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6-(tert-Butylimino)-7-(dimethylamino)-2-phenyl-4-(isopropylamino)-1H,6H-pyrrolo[3,4-c]thiopyran-1,3(2H)-dione
SpectraBase Compound ID Ae0rY7masZT
InChI InChI=1S/C22H28N4O2S/c1-13(2)23-18-16-15(17(25(6)7)19(29-18)24-22(3,4)5)20(27)26(21(16)28)14-11-9-8-10-12-14/h8-13,23H,1-7H3/b24-19-
InChIKey XSMWRVOKKGAGBP-CLCOLTQESA-N
Mol Weight 412.55 g/mol
Molecular Formula C22H28N4O2S
Exact Mass 412.193297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jb7HvAeoMuv
Name 6-(tert-Butylimino)-7-(dimethylamino)-2-phenyl-4-(isopropylamino)-1H,6H-pyrrolo[3,4-c]thiopyran-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N4O2S
InChI InChI=1S/C22H28N4O2S/c1-13(2)23-18-16-15(17(25(6)7)19(29-18)24-22(3,4)5)20(27)26(21(16)28)14-11-9-8-10-12-14/h8-13,23H,1-7H3/b24-19-
InChIKey XSMWRVOKKGAGBP-CLCOLTQESA-N
Molecular Weight 412.552 g/mol
SMILES N(C1=C2C(C(=O)N(C2=O)c2ccccc2)=C(N(C)C)\C(S1)=N\C(C)(C)C)C(C)C
SPLASH splash10-0a4i-0009100000-500f4c89580e86e5dd16
Source of Spectrum F-51-7033-20
Synonyms (6Z)-7-(dimethylamino)-6-{[(Z)-1,1-dimethylethyl]imino}-4-(isopropylamino)-2-phenylthiino[3,4-c]pyrrole-1,3(2H,6H)-dione
Wiley ID 792385