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3-Benzyl-7-cyano-8-(4-nitrophenyl)-3,4-dihydro-2H-pyrimido[2,1-b]-1,3,5-thiadiazin-6-one
SpectraBase Compound ID HPhflYiP3D7
InChI InChI=1S/C20H15N5O3S/c21-10-17-18(15-6-8-16(9-7-15)25(27)28)22-20-24(19(17)26)12-23(13-29-20)11-14-4-2-1-3-5-14/h1-9H,11-13H2
InChIKey XDRDPOPCDJEQKH-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C20H15N5O3S
Exact Mass 405.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HKzjms4ITe
Name 3-Benzyl-7-cyano-8-(4-nitrophenyl)-3,4-dihydro-2H-pyrimido[2,1-b]-1,3,5-thiadiazin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N5O3S
InChI InChI=1S/C20H15N5O3S/c21-10-17-18(15-6-8-16(9-7-15)25(27)28)22-20-24(19(17)26)12-23(13-29-20)11-14-4-2-1-3-5-14/h1-9H,11-13H2
InChIKey XDRDPOPCDJEQKH-UHFFFAOYSA-N
Molecular Weight 405.432 g/mol
SMILES C1=2N(C(C(=C(N2)c2ccc(N(=O)=O)cc2)C#N)=O)CN(CS1)Cc1ccccc1
SPLASH splash10-052f-7910000000-0daf32de73f38539fbe5
Source of Spectrum Y-47-1301-8d
Synonyms 8-(4-nitrophenyl)-6-oxo-3-(phenylmethyl)-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile 3-Benzyl-8-(4-nitrophenyl)-6-oxo-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile 8-(4-nitrophenyl)-6-oxidanylidene-3-(phenylmethyl)-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile
Wiley ID 1667425