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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

View entire compound with spectra: 1 MS (GC)

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 ui8XtV5QkK
InChI InChI=1S/C16H18N7O3PS/c17-16(20-27(28)19-15-14(26-27)2-1-7-18-15)22-10-8-21(9-11-22)12-3-5-13(6-4-12)23(24)25/h1-7H,8-11H2,(H3,17,18,19,20,28)
InChIKey BCIVWAYSCUPTPD-UHFFFAOYSA-N
Mol Weight 419.4 g/mol
Molecular Formula C16H18N7O3PS
Exact Mass 419.092946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3F6ESnj8CO7
Name 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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Formula C16H18N7O3PS
InChI InChI=1S/C16H18N7O3PS/c17-16(20-27(28)19-15-14(26-27)2-1-7-18-15)22-10-8-21(9-11-22)12-3-5-13(6-4-12)23(24)25/h1-7H,8-11H2,(H3,17,18,19,20,28)
InChIKey BCIVWAYSCUPTPD-UHFFFAOYSA-N
Molecular Weight 419.400 g/mol
SMILES N1c2ncccc2OP1(NC(N1CCN(CC1)c1ccc(N(=O)=O)cc1)=N)=S
SPLASH splash10-0gb9-0404900000-5365a0667aa3251f6b1d
Source of Spectrum E1-61-32-5l
Synonyms 4-(4-nitrophenyl)-N-(2-sulfido-[1,3,2]oxazaphospholo[4,5-b]pyridin-2(3H)-yl)piperazine-1-carboximidamide 4-(4-nitrophenyl)-N'-(2-sulfanylidene-3H-[1,3,2]oxazaphospholo[4,5-b]pyridin-2-yl)-1-piperazinecarboximidamide 4-(4-nitrophenyl)-N'-(2-sulfanylidene-3H-[1,3,2]oxazaphospholo[4,5-b]pyridin-2-yl)piperazine-1-carboximidamide
Wiley ID 1738932