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4-Cyano-2,7-diphenyl-6-ethylamino-pyrimido[5,4-c]pyridazine-3,8-dione
SpectraBase Compound ID 2NBTFP3i1uo
InChI InChI=1S/C21H16N6O2/c1-2-23-21-24-17-16(13-22)19(28)27(15-11-7-4-8-12-15)25-18(17)20(29)26(21)14-9-5-3-6-10-14/h3-12H,2H2,1H3,(H,23,24)
InChIKey DZCGCCWTFXUHCI-UHFFFAOYSA-N
Mol Weight 384.4 g/mol
Molecular Formula C21H16N6O2
Exact Mass 384.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKVmDupq8u2
Name 4-Cyano-2,7-diphenyl-6-ethylamino-pyrimido[5,4-c]pyridazine-3,8-dione
Alternate Name(s) 6-(ethylamino)-3,8-dioxo-2,7-diphenyl-4-pyrimido[5,4-c]pyridazinecarbonitrile 6-(ethylamino)-3,8-dioxo-2,7-diphenylpyrimido[5,4-c]pyridazine-4-carbonitrile 6-(ethylamino)-3,8-dioxo-2,7-diphenyl-pyrimido[5,4-c]pyridazine-4-carbonitrile 6-(ethylamino)-3,8-bis(oxidanylidene)-2,7-diphenyl-pyrimido[5,4-c]pyridazine-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N6O2
InChI InChI=1S/C21H16N6O2/c1-2-23-21-24-17-16(13-22)19(28)27(15-11-7-4-8-12-15)25-18(17)20(29)26(21)14-9-5-3-6-10-14/h3-12H,2H2,1H3,(H,23,24)
InChIKey DZCGCCWTFXUHCI-UHFFFAOYSA-N
Molecular Weight 384.399 g/mol
SMILES N(C=1N(C(C=2C(=C(C#N)C(N(N2)c2ccccc2)=O)N1)=O)c1ccccc1)CC
SPLASH splash10-001i-0009000000-f382b8177688a2afe377
Source of Spectrum Y-49-391-5a
Wiley ID 1706543