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3-(methylthio)-6-phenyl-8-pyrimido[4,5-e][1,2,4]triazinamine
SpectraBase Compound ID 5Givf9GIJnI
InChI InChI=1S/C12H10N6S/c1-19-12-16-11-8(17-18-12)9(13)14-10(15-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,18)
InChIKey CCLKXIKDDKGDEZ-UHFFFAOYSA-N
Mol Weight 270.31 g/mol
Molecular Formula C12H10N6S
Exact Mass 270.068766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OD4riN89y9
Name 3-(methylthio)-6-phenyl-8-pyrimido[4,5-e][1,2,4]triazinamine
Alternate Name(s) [3-(methylthio)-6-phenyl-pyrimido[4,5-e][1,2,4]triazin-8-yl]amine 3-Methylsulfanyl-6-phenylpyrimido[4,5-e][1,2,4]triazin-8-amine
CAS Registry Number 96259-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N6S
InChI InChI=1S/C12H10N6S/c1-19-12-16-11-8(17-18-12)9(13)14-10(15-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,18)
InChIKey CCLKXIKDDKGDEZ-UHFFFAOYSA-N
Molecular Weight 270.314 g/mol
SMILES Nc1nc(nc2nc(SC)nnc12)-c1ccccc1
SPLASH splash10-0udi-3950000000-6c409378ea3244be8f0e
Source of Spectrum J-50-2298-14
Wiley ID 1273734