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2-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)ethanamide

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2-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)ethanamide
SpectraBase Compound ID 6qucjXAHmeg
InChI InChI=1S/C22H25N3O3S2/c1-13(2)28-16-10-6-5-9-15(16)23-18(26)12-29-22-24-20-19(21(27)25(22)3)14-8-4-7-11-17(14)30-20/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,23,26)
InChIKey ILBVXCBDDDUJPO-UHFFFAOYSA-N
Mol Weight 443.58 g/mol
Molecular Formula C22H25N3O3S2
Exact Mass 443.133734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8L1zCFA9mZc
Name 2-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)ethanamide
Alternate Name(s) 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-(2-propan-2-yloxyphenyl)acetamide N-(2-isopropoxyphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide N-(2-isopropoxyphenyl)-2-[(4-keto-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide
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Formula C22H25N3O3S2
InChI InChI=1S/C22H25N3O3S2/c1-13(2)28-16-10-6-5-9-15(16)23-18(26)12-29-22-24-20-19(21(27)25(22)3)14-8-4-7-11-17(14)30-20/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,23,26)
InChIKey ILBVXCBDDDUJPO-UHFFFAOYSA-N
Molecular Weight 443.580 g/mol
SMILES N(C(CSC=1N(C(c2c(N1)sc1c2CCCC1)=O)C)=O)c1c(OC(C)C)cccc1
SPLASH splash10-0006-5690000000-4b4f59742d98e3ba01e1
Wiley ID 1462619