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3-[(2',6'-Dichlorobenzylidene)amino]-2-[(3"-chlorophenyl)amino]-3H-quinazolin-4-one
SpectraBase Compound ID 9PsSrTMAsBT
InChI InChI=1S/C21H13Cl3N4O/c22-13-5-3-6-14(11-13)26-21-27-19-10-2-1-7-15(19)20(29)28(21)25-12-16-17(23)8-4-9-18(16)24/h1-12H,(H,26,27)/b25-12+
InChIKey XHDQZVYFPXUISV-BRJLIKDPSA-N
Mol Weight 443.72 g/mol
Molecular Formula C21H13Cl3N4O
Exact Mass 442.015494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0BqkKtcJej
Name 3-[(2',6'-Dichlorobenzylidene)amino]-2-[(3"-chlorophenyl)amino]-3H-quinazolin-4-one
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Formula C21H13Cl3N4O
InChI InChI=1S/C21H13Cl3N4O/c22-13-5-3-6-14(11-13)26-21-27-19-10-2-1-7-15(19)20(29)28(21)25-12-16-17(23)8-4-9-18(16)24/h1-12H,(H,26,27)/b25-12+
InChIKey XHDQZVYFPXUISV-BRJLIKDPSA-N
Molecular Weight 443.721 g/mol
SMILES N(C=1N(C(c2c(cccc2)N1)=O)\N=C\c1c(Cl)cccc1Cl)c1cc(Cl)ccc1
SPLASH splash10-0005-0070900000-3289f46e9222b30b2088
Source of Spectrum AH-132-1069-2
Synonyms 2-(3-Chloroanilino)-3-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-4(3H)-quinazolinone 3-[(2',6'-Dichlorobenzylidene)amino]-2-[(3''-chlorophenyl)amino]-3H-quinazolin-4-one
Wiley ID 849941