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(cis)-5-Amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5",5"-dimethyl-2"-oxo-4"-phenyl-1",3",2"-dioxaphosphinan-2"-yl)-4-cyano-1H-pyrazole

View entire compound with spectra: 2 MS (GC)

(cis)-5-Amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5",5"-dimethyl-2"-oxo-4"-phenyl-1",3",2"-dioxaphosphinan-2"-yl)-4-cyano-1H-pyrazole
SpectraBase Compound ID 3Rl4XPSjdH4
InChI InChI=1S/C21H22ClN6O3P/c1-21(2)13-30-32(29,31-18(21)15-6-4-3-5-7-15)28-19(24)16(10-23)20(27-28)26-12-14-8-9-17(22)25-11-14/h3-9,11,18H,12-13,24H2,1-2H3,(H,26,27)/t18-,32+/m1/s1
InChIKey VDSNZZQRKZQWKA-CVCYQNGTSA-N
Mol Weight 472.87 g/mol
Molecular Formula C21H22ClN6O3P
Exact Mass 472.117953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCk2EGJXZTK
Name (cis)-5-Amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5",5"-dimethyl-2"-oxo-4"-phenyl-1",3",2"-dioxaphosphinan-2"-yl)-4-cyano-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN6O3P
InChI InChI=1S/C21H22ClN6O3P/c1-21(2)13-30-32(29,31-18(21)15-6-4-3-5-7-15)28-19(24)16(10-23)20(27-28)26-12-14-8-9-17(22)25-11-14/h3-9,11,18H,12-13,24H2,1-2H3,(H,26,27)/t18-,32+/m1/s1
InChIKey VDSNZZQRKZQWKA-CVCYQNGTSA-N
Molecular Weight 472.873 g/mol
SMILES N(c1n[n](c(c1C#N)N)[P@]1(O[C@](c2ccccc2)(C(CO1)(C)C)[H])=O)Cc1cnc(cc1)Cl
SPLASH splash10-004i-5900200000-81c060c5409cbe9a16e2
Source of Spectrum AJ-43-1025-0
Synonyms (trans)-5-Amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5'',5''-dimethyl-2''-oxo-4''-phenyl-1'',3'',2''-dioxaphosphinan-2''-yl)-4-cyano-1H-pyrazole 5-Amino-3-[(6-chloro-3-pyridinyl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2-dioxaphosphorinan-2-yl)-4-pyrazolecarbonitrile 5-Amino-3-[(6-chloro-3-pyridyl)methylamino]-1-(2-keto-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan-2-yl)pyrazole-4-carbonitrile 5-Amino-3-[(6-chloro-3-pyridyl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile 5-Amino-3-[(6-chloropyridin-3-yl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile 5-Amino-3-{[(6-chloro-3-pyridinyl)methyl]amino}-1-(5,5-dimethyl-2-oxido-4-phenyl-1,3,2-dioxaphosphorinan-2-yl)-1H-pyrazole-4-carbonitrile 5-Azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-(5,5-dimethyl-2-oxidanylidene-4-phenyl-1,3,2-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile 5-Amino-3-[(6-chloro-3-pyridinyl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-4-pyrazolecarbonitrile 5-Amino-3-[(6-chloropyridin-3-yl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2$l^{5}-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile 5-Amino-3-[(6-chloro-3-pyridyl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2$l^{5}-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile 5-Azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-(5,5-dimethyl-2-oxidanylidene-4-phenyl-1,3,2$l^{5}-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile
Wiley ID 1594192