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2-[6-Amino-1-(4-aminophenyl)-2-phenyl-2-(phenyl-amino)-2,3-dihydropyrimidine-4(1H)-ylidene]malononitrile
SpectraBase Compound ID CVxPBshIiuB
InChI InChI=1S/C25H21N7/c26-16-18(17-27)23-15-24(29)32(22-13-11-20(28)12-14-22)25(31-23,19-7-3-1-4-8-19)30-21-9-5-2-6-10-21/h1-15,30-31H,28-29H2
InChIKey YLLAUMOHDRHCCP-UHFFFAOYSA-N
Mol Weight 419.49 g/mol
Molecular Formula C25H21N7
Exact Mass 419.185844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5CcUaEOP3u
Name 2-[6-Amino-1-(4-aminophenyl)-2-phenyl-2-(phenyl-amino)-2,3-dihydropyrimidine-4(1H)-ylidene]malononitrile
Appearance Brownish red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N7
InChI InChI=1S/C25H21N7/c26-16-18(17-27)23-15-24(29)32(22-13-11-20(28)12-14-22)25(31-23,19-7-3-1-4-8-19)30-21-9-5-2-6-10-21/h1-15,30-31H,28-29H2
InChIKey YLLAUMOHDRHCCP-UHFFFAOYSA-N
Instrument Name JEOL JMS-600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2510
Molecular Weight 419.492 g/mol
SMILES N1C(C=C(N(c2ccc(cc2)N)C1(Nc1ccccc1)c1ccccc1)N)=C(C#N)C#N
SPLASH splash10-03xu-2911200000-c412b923b0ad005fae4b
Source of Spectrum Y-53-1943-6d
Wiley ID 1876717