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5-Methyl-3-[(N-(4,5-dicyano-2-oxodihydropyrrol-3-yl)-N-(p-methylphenyl)amino]-5H-[1,2,4]-triazino[5,6-b]indole
SpectraBase Compound ID CO16HrUqCT4
InChI InChI=1S/C23H16N8O/c1-13-7-9-14(10-8-13)31(20-16(11-24)17(12-25)26-22(20)32)23-27-21-19(28-29-23)15-5-3-4-6-18(15)30(21)2/h3-10,17H,1-2H3,(H,26,32)
InChIKey HKGRSIAWMMYXQQ-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C23H16N8O
Exact Mass 420.144707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kburx04jomQ
Name 5-Methyl-3-[(N-(4,5-dicyano-2-oxodihydropyrrol-3-yl)-N-(p-methylphenyl)amino]-5H-[1,2,4]-triazino[5,6-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16N8O
InChI InChI=1S/C23H16N8O/c1-13-7-9-14(10-8-13)31(20-16(11-24)17(12-25)26-22(20)32)23-27-21-19(28-29-23)15-5-3-4-6-18(15)30(21)2/h3-10,17H,1-2H3,(H,26,32)
InChIKey HKGRSIAWMMYXQQ-UHFFFAOYSA-N
Molecular Weight 420.436 g/mol
SMILES N1C(C(=C(C1=O)N(c1nc2c(c3ccccc3[n]2C)nn1)c1ccc(cc1)C)C#N)C#N
SPLASH splash10-0673-9640100000-c601e1229b1bed3961e7
Source of Spectrum F-50-10005-14
Synonyms 4-[(5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-p-tolyl-amino]-5-oxo-2,5-dihydro-1H-pyrrole-2,3-dicarbonitrile 4-[4-methyl(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)anilino]-5-oxo-4,5-dihydro-1H-pyrrole-2,3-dicarbonitrile
Wiley ID 1377944