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3-METHYL-1,4-DIPHENYL-7-THIOXO-4,6,8,9-TETRAHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
SpectraBase Compound ID 90pmBHPZgW7
InChI InChI=1S/C21H17N5OS/c1-12-15-16(13-8-4-2-5-9-13)17-18(23-21(28)24-20(17)27)22-19(15)26(25-12)14-10-6-3-7-11-14/h2-11,16H,1H3,(H3,22,23,24,27,28)
InChIKey DRMLEGOHBGZXSU-UHFFFAOYSA-N
Mol Weight 387.46 g/mol
Molecular Formula C21H17N5OS
Exact Mass 387.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2B9KMMLzoz
Name 3-METHYL-1,4-DIPHENYL-7-THIOXO-4,6,8,9-TETRAHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N5OS
InChI InChI=1S/C21H17N5OS/c1-12-15-16(13-8-4-2-5-9-13)17-18(23-21(28)24-20(17)27)22-19(15)26(25-12)14-10-6-3-7-11-14/h2-11,16H,1H3,(H3,22,23,24,27,28)
InChIKey DRMLEGOHBGZXSU-UHFFFAOYSA-N
Literature Reference Author T.I.EL-EMARY,S.A.A.EL-MOHSEN
Literature Reference Citation MOLECULES,17,14464(2012)
Literature Reference DOI 10.3390/molecules171214464
Molecular Weight 387.459 g/mol
Sample ID 906
Solvent DMSO-D6