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5-[BIS-[(1'H-BENZO-[D]-IMIDAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-DIHYDRO-6-IMINO-1,3-DIMETHYL-PYRIMIDINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID 6a5MfkcN99Z
InChI InChI=1S/C23H21N7O2S2/c1-29-20(24)19(21(31)30(2)23(29)32)22(33-11-17-25-13-7-3-4-8-14(13)26-17)34-12-18-27-15-9-5-6-10-16(15)28-18/h3-10,24H,11-12H2,1-2H3,(H,25,26)(H,27,28)
InChIKey QXHVSTNJXUZKTH-UHFFFAOYSA-N
Mol Weight 491.59 g/mol
Molecular Formula C23H21N7O2S2
Exact Mass 491.119815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QupSgiChby
Name 5-[BIS-[(1'H-BENZO-[D]-IMIDAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-DIHYDRO-6-IMINO-1,3-DIMETHYL-PYRIMIDINE-2,4(1H,3H)-DIONE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21N7O2S2
InChI InChI=1S/C23H21N7O2S2/c1-29-20(24)19(21(31)30(2)23(29)32)22(33-11-17-25-13-7-3-4-8-14(13)26-17)34-12-18-27-15-9-5-6-10-16(15)28-18/h3-10,24H,11-12H2,1-2H3,(H,25,26)(H,27,28)
InChIKey QXHVSTNJXUZKTH-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,B.C.VENKATESH,A.MURALIKRISHNA,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,60,449(2012)
Literature Reference DOI 10.1248/cpb.60.449
Molecular Weight 491.585 g/mol
Source File Reference UWBT4722