5-ANILINO-1-BENZYL-1,3-DIMETHYL-6-PHENYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MAJOR-COMPOUND

SpectraBase Compound ID	5On82V5db1A
InChI	InChI=1S/C29H28N4O2/c1-31-27-25(28(34)32(2)29(31)35)26(30-23-16-10-5-11-17-23)24(22-14-8-4-9-15-22)18-19-33(27)20-21-12-6-3-7-13-21/h3-19,24,26,30H,20H2,1-2H3/t24?,26-/m1/s1
InChIKey	OPWJUBCVGWXMLM-JUERFOTFSA-N Google Search
Mol Weight	464.57 g/mol
Molecular Formula	C29H28N4O2
Exact Mass	464.221226 g/mol

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SpectraBase Spectrum ID	KTpr39We91M
Name	5-ANILINO-1-BENZYL-1,3-DIMETHYL-6-PHENYL-6,9-DIHYDRO-5H-PYRIMIDO-[4,5-B]-AZEPINE-2,4-(1H,3H)-DIONE;MINOR-COMPOUND
Compound Number	8A
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C29H28N4O2/c1-31-27-25(28(34)32(2)29(31)35)26(30-23-16-10-5-11-17-23)24(22-14-8-4-9-15-22)18-19-33(27)20-21-12-6-3-7-13-21/h3-19,24,26,30H,20H2,1-2H3/t24?,26-/m1/s1
InChIKey	OPWJUBCVGWXMLM-JUERFOTFSA-N
Literature Reference	T.INAZUMI,E.HARADA,T.MIZUKOSHI,Y.KUROKI,A.KAKEHI,M.NOGUCHI J.CHEM.SOC.PERKIN-1,565(1994)
Solvent	Chloroform-d