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N1-(2-Thioxo-2,3-dihydro-2.lambda.5-pyrido[2,3-d][1,3,2]oxazaphosphol-2-yl)-4-(4-nitrophenyl)-1-piperazinecarboximidamide

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N1-(2-Thioxo-2,3-dihydro-2.lambda.5-pyrido[2,3-d][1,3,2]oxazaphosphol-2-yl)-4-(4-nitrophenyl)-1-piperazinecarboximidamide
SpectraBase Compound ID IFsvpBHadEH
InChI InChI=1S/C16H20N9O3PS/c17-16(21-29(30)20-15-14(28-29)2-1-7-18-15)19-22-24-10-8-23(9-11-24)12-3-5-13(6-4-12)25(26)27/h1-7,22H,8-11H2,(H4,17,18,19,20,21,30)
InChIKey LTFFQHVZHOWHAF-UHFFFAOYSA-N
Mol Weight 449.43 g/mol
Molecular Formula C16H20N9O3PS
Exact Mass 449.114744 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dx0P4nNWa8k
Name N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(4-NITROPHENYL)-1-PIPERAZINE-CARBOXIMIDAMIDE
Compound Number 5L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N9O3PS
InChI InChI=1S/C16H20N9O3PS/c17-16(21-29(30)20-15-14(28-29)2-1-7-18-15)19-22-24-10-8-23(9-11-24)12-3-5-13(6-4-12)25(26)27/h1-7,22H,8-11H2,(H4,17,18,19,20,21,30)
InChIKey LTFFQHVZHOWHAF-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 UWBT4814