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1H-Pyrido[1,2-c][1,3,2]diazaphosphorine-4-carbonitrile, 5,6,7,8-tetrahydro-3-(4-morpholinyl)-1-[(phenylmethyl)thio]-, 1-sulfide
SpectraBase Compound ID 2nCo5QFtHAn
InChI InChI=1S/C19H23N4OPS2/c20-14-17-18-8-4-5-9-23(18)25(26,27-15-16-6-2-1-3-7-16)21-19(17)22-10-12-24-13-11-22/h1-3,6-7H,4-5,8-13,15H2
InChIKey HJOOPMQGQMYNAD-UHFFFAOYSA-N
Mol Weight 418.51 g/mol
Molecular Formula C19H23N4OPS2
Exact Mass 418.105091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0nsB1k2tJQ
Name 1H-Pyrido[1,2-c][1,3,2]diazaphosphorine-4-carbonitrile, 5,6,7,8-tetrahydro-3-(4-morpholinyl)-1-[(phenylmethyl)thio]-, 1-sulfide
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Formula C19H23N4OPS2
InChI InChI=1S/C19H23N4OPS2/c20-14-17-18-8-4-5-9-23(18)25(26,27-15-16-6-2-1-3-7-16)21-19(17)22-10-12-24-13-11-22/h1-3,6-7H,4-5,8-13,15H2
InChIKey HJOOPMQGQMYNAD-UHFFFAOYSA-N
Molecular Weight 418.514 g/mol
SMILES C1CCN2P(SCc3ccccc3)(N=C(C(=C2C1)C#N)N1CCOCC1)=S
SPLASH splash10-03dj-5290000000-b2b861bc3ce03f36d7b1
Source of Spectrum IY-2-5046-6
Synonyms 3-(4-morpholinyl)-1-(phenylmethylthio)-1-sulfanylidene-5,6,7,8-tetrahydropyrido[1,2-c][1,3,2]diazaphosphorine-4-carbonitrile 1-Benzylsulfanyl-3-morpholin-4-yl-1-sulfanylidene-5,6,7,8-tetrahydropyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile 1-Benzylsulfanyl-3-morpholino-1-thioxo-5,6,7,8-tetrahydropyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile 3-morpholin-4-yl-1-(phenylmethylsulfanyl)-1-sulfanylidene-5,6,7,8-tetrahydropyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile 1-(benzylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-1H,5H,6H,7H,8H-2,9000000,1-pyrido[1,2-a][1,3,2]diazaphosphinine-4-carbonitrile
Wiley ID 1658449