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4-(tert-butylamino)-5-[(tert-butylamino)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
SpectraBase Compound ID Ly7Kt7f90xt
InChI InChI=1S/C16H24N4O2S/c1-15(2,3)19-7-9-10-12(20-16(4,5)6)17-8-18-13(10)23-11(9)14(21)22/h8,19H,7H2,1-6H3,(H,21,22)(H,17,18,20)
InChIKey GJUFESGAYKUMAV-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C16H24N4O2S
Exact Mass 336.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ro5mNTOWMp
Name 4-(tert-butylamino)-5-[(tert-butylamino)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
Alternate Name(s) 4-(tert-butylamino)-5-[(tert-butylamino)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid 4-(tert-butylamino)-5-[(tert-butylammonio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylate 4-(tert-butylamino)-5-[(tert-butylammonio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate 4-(tert-butylamino)-5-[(tert-butylazaniumyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-tert-butylamino-5-(tert-butylaminomethyl)-
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Formula C16H24N4O2S
InChI InChI=1S/C16H24N4O2S/c1-15(2,3)19-7-9-10-12(20-16(4,5)6)17-8-18-13(10)23-11(9)14(21)22/h8,19H,7H2,1-6H3,(H,21,22)(H,17,18,20)
InChIKey GJUFESGAYKUMAV-UHFFFAOYSA-N
Molecular Weight 336.454 g/mol
SMILES N(c1ncnc2c1c(CNC(C)(C)C)c(s2)C(=O)O)C(C)(C)C
SPLASH splash10-05i3-7690000000-0b77a4ea351dba1f01a9
Wiley ID 1439455