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6-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-7-piperonyl-[1,3]dioxolo[4,5-g]quinazolin-8-one
SpectraBase Compound ID 6hgMbGOxux8
InChI InChI=1S/C25H25N3O6S/c1-15-4-2-3-7-27(15)23(29)12-35-25-26-18-10-22-21(33-14-34-22)9-17(18)24(30)28(25)11-16-5-6-19-20(8-16)32-13-31-19/h5-6,8-10,15H,2-4,7,11-14H2,1H3
InChIKey SUORGWHDGSHGDV-UHFFFAOYSA-N
Mol Weight 495.55 g/mol
Molecular Formula C25H25N3O6S
Exact Mass 495.146407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IBfblBpIHO
Name 6-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-7-piperonyl-[1,3]dioxolo[4,5-g]quinazolin-8-one
Alternate Name(s) 7-(1,3-benzodioxol-5-ylmethyl)-6-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-[1,3]dioxolo[4,5-g]quinazolin-8-one 7-(1,3-benzodioxol-5-ylmethyl)-6-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-[1,3]dioxolo[4,5-g]quinazolin-8-one 7-(1,3-benzodioxol-5-ylmethyl)-6-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-[1,3]dioxolo[4,5-g]quinazolin-8-one 7-(1,3-benzodioxol-5-ylmethyl)-6-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-[1,3]dioxolo[4,5-g]quinazolin-8-one
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Formula C25H25N3O6S
InChI InChI=1S/C25H25N3O6S/c1-15-4-2-3-7-27(15)23(29)12-35-25-26-18-10-22-21(33-14-34-22)9-17(18)24(30)28(25)11-16-5-6-19-20(8-16)32-13-31-19/h5-6,8-10,15H,2-4,7,11-14H2,1H3
InChIKey SUORGWHDGSHGDV-UHFFFAOYSA-N
Molecular Weight 495.550 g/mol
SMILES C1CCN(C(CSC=2N(C(c3c(cc4c(c3)OCO4)N2)=O)Cc2cc3OCOc3cc2)=O)C(C)C1
SPLASH splash10-052r-6911000000-51e6e8c66c69bac8d7bf
Wiley ID 1444419