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Urea, [6-cyano-3,4-dihydro-2-(1-naphthalenyl)-3-oxo-4-phenyl-1,3,5-triazin- 5(2H)-ylidene]phenyl-
SpectraBase Compound ID 4IqaEBn7az9
InChI InChI=1S/C27H18N6O2/c28-18-23-25(30-26(34)29-20-12-3-1-4-13-20)32(21-14-5-2-6-15-21)27(35)33(31-23)24-17-9-11-19-10-7-8-16-22(19)24/h1-17H,(H,29,34)/b30-25+
InChIKey XZYRCGWSCNQDJY-QCWLDUFUSA-N
Mol Weight 458.48 g/mol
Molecular Formula C27H18N6O2
Exact Mass 458.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqdizFmesld
Name Urea, [6-cyano-3,4-dihydro-2-(1-naphthalenyl)-3-oxo-4-phenyl-1,3,5-triazin- 5(2H)-ylidene]phenyl-
CAS Registry Number 66707-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18N6O2
InChI InChI=1S/C27H18N6O2/c28-18-23-25(30-26(34)29-20-12-3-1-4-13-20)32(21-14-5-2-6-15-21)27(35)33(31-23)24-17-9-11-19-10-7-8-16-22(19)24/h1-17H,(H,29,34)/b30-25+
InChIKey XZYRCGWSCNQDJY-QCWLDUFUSA-N
Molecular Weight 458.481 g/mol
SMILES N(C(\N=C/1N(C(N(c2c3c(cccc3)ccc2)N=C1C#N)=O)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0170-0913000000-947637b74a5812c81dab
Source of Spectrum H-61-1185-0
Synonyms 2-(1-Naphthyl)-3-oxo-4-phenyl-5-((phenylcarbamyl)imino)-6-cyano-2,3,4,5-tetrahydro-1,2,4-triazine N-((5E)-6-cyano-2-(1-naphthyl)-3-oxo-4-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-ylidene)-N'-phenylurea
Wiley ID 1389911