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2-(3-Chloroanilino)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SpectraBase Compound ID 2hiGrIn9YIf
InChI InChI=1S/C21H13Cl2N5O/c22-13-8-10-16(11-9-13)27-20(24-15-5-3-4-14(23)12-15)26-28-19(29)17-6-1-2-7-18(17)25-21(27)28/h1-12H,(H,24,26)
InChIKey CINNTUODMZBNRP-UHFFFAOYSA-N
Mol Weight 422.28 g/mol
Molecular Formula C21H13Cl2N5O
Exact Mass 421.049715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OIwujlvH4a
Name 2-(3-Chloroanilino)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Alternate Name(s) 3-(4-Chlorophenyl)-2-[(3-chlorophenyl)amino]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13Cl2N5O
InChI InChI=1S/C21H13Cl2N5O/c22-13-8-10-16(11-9-13)27-20(24-15-5-3-4-14(23)12-15)26-28-19(29)17-6-1-2-7-18(17)25-21(27)28/h1-12H,(H,24,26)
InChIKey CINNTUODMZBNRP-UHFFFAOYSA-N
Molecular Weight 422.275 g/mol
SMILES N(C1=NN2C(=Nc3c(C2=O)cccc3)N1c1ccc(cc1)Cl)c1cc(ccc1)Cl
SPLASH splash10-0udi-0900000000-6626773029a7306d94ca
Source of Spectrum K1-2004-3876-7
Wiley ID 1561582