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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-fluorophenyl)-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-fluorophenyl)-1-piperazinecarboximidamide
SpectraBase Compound ID CcjQBxWNGnV
InChI InChI=1S/C16H20FN8OPS/c17-12-3-5-13(6-4-12)24-8-10-25(11-9-24)23-20-16(18)22-27(28)21-15-14(26-27)2-1-7-19-15/h1-7,23H,8-11H2,(H4,18,19,20,21,22,28)
InChIKey CLSQFBHIZWPXTQ-UHFFFAOYSA-N
Mol Weight 422.42 g/mol
Molecular Formula C16H20FN8OPS
Exact Mass 422.120244 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DPvcQtTEM0
Name N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(4-FLUOROPHENYL)-1-PIPERAZINE-CARBOXIMIDAMIDE
Compound Number 5J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20FN8OPS
InChI InChI=1S/C16H20FN8OPS/c17-12-3-5-13(6-4-12)24-8-10-25(11-9-24)23-20-16(18)22-27(28)21-15-14(26-27)2-1-7-19-15/h1-7,23H,8-11H2,(H4,18,19,20,21,22,28)
InChIKey CLSQFBHIZWPXTQ-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 UWBT4812