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1H-Thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,4-dihydro-6-benzylamino-8-isopropyl-3,3-dimethyl-
SpectraBase Compound ID 836s4mOQPul
InChI InChI=1S/C21H25N3S/c1-14(2)19-18-13-25-21(3,4)10-16(18)17(11-22)20(24-19)23-12-15-8-6-5-7-9-15/h5-9,14H,10,12-13H2,1-4H3,(H,23,24)
InChIKey SGPIMWKYZXBMTE-UHFFFAOYSA-N
Mol Weight 351.51 g/mol
Molecular Formula C21H25N3S
Exact Mass 351.176919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K0pWxbvdh5
Name 1H-Thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,4-dihydro-6-benzylamino-8-isopropyl-3,3-dimethyl-
Alternate Name(s) 3,3-Dimethyl-6-[(phenylmethyl)amino]-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 6-(benzylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 6-(benzylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 6-(Benzylamino)-8-isopropyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
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Formula C21H25N3S
InChI InChI=1S/C21H25N3S/c1-14(2)19-18-13-25-21(3,4)10-16(18)17(11-22)20(24-19)23-12-15-8-6-5-7-9-15/h5-9,14H,10,12-13H2,1-4H3,(H,23,24)
InChIKey SGPIMWKYZXBMTE-UHFFFAOYSA-N
Molecular Weight 351.512 g/mol
SMILES N(c1nc(C(C)C)c2c(c1C#N)CC(SC2)(C)C)Cc1ccccc1
SPLASH splash10-0uxr-3319000000-eb3519069e322a179e93
Wiley ID 1457254