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N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(2-PYRIMIDINYL)-1-PIPERAZINE-CARBOXIMIDAMIDE

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N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(2-PYRIMIDINYL)-1-PIPERAZINE-CARBOXIMIDAMIDE
SpectraBase Compound ID ICHVNvgmUPK
InChI InChI=1S/C14H18N9OPS/c15-13(21-25(26)20-12-11(24-25)3-1-4-16-12)19-23-9-7-22(8-10-23)14-17-5-2-6-18-14/h1-6H,7-10H2,(H4,15,16,19,20,21,26)
InChIKey WCYBFKVSAUNCLZ-UHFFFAOYSA-N
Mol Weight 391.39 g/mol
Molecular Formula C14H18N9OPS
Exact Mass 391.109264 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2KOj0BNqQg
Name N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(2-PYRIMIDINYL)-1-PIPERAZINE-CARBOXIMIDAMIDE
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18N9OPS
InChI InChI=1S/C14H18N9OPS/c15-13(21-25(26)20-12-11(24-25)3-1-4-16-12)19-23-9-7-22(8-10-23)14-17-5-2-6-18-14/h1-6H,7-10H2,(H4,15,16,19,20,21,26)
InChIKey WCYBFKVSAUNCLZ-UHFFFAOYSA-N
Literature Reference Author V.R.KATLA,R.SYED,R.SYED,C.S.KURUVA,H.K.KUNTRAPAKAM,N.R.CHAMA RTHI
Literature Reference Citation CHEM.PHARM.BULL.,61,25(2013)
Literature Reference DOI 10.1248/cpb.c12-00582
Solvent DMSO-D6
Source File Reference UWBT4813