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Methyl 1-(4-Chlorophenyl)-5-oxo-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylate
SpectraBase Compound ID 9SdLev8Dg3x
InChI InChI=1S/C19H14ClN5O3/c1-28-18(27)17-23-25(14-9-7-12(20)8-10-14)19-22-15(11-16(26)24(17)19)21-13-5-3-2-4-6-13/h2-11,21H,1H3
InChIKey WBDVDSNEPXRUOQ-UHFFFAOYSA-N
Mol Weight 395.81 g/mol
Molecular Formula C19H14ClN5O3
Exact Mass 395.078517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z5bfqRKGTD
Name Methyl 5-oxo-1-(p-chlorophenyl)-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylate
Alternate Name(s) Methyl 7-anilino-1-(4-chlorophenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClN5O3
InChI InChI=1S/C19H14ClN5O3/c1-28-18(27)17-23-25(14-9-7-12(20)8-10-14)19-22-15(11-16(26)24(17)19)21-13-5-3-2-4-6-13/h2-11,21H,1H3
InChIKey WBDVDSNEPXRUOQ-UHFFFAOYSA-N
Molecular Weight 395.806 g/mol
SMILES N(C=1N=C2N(C(C1)=O)C(=NN2c1ccc(cc1)Cl)C(=O)OC)c1ccccc1
SPLASH splash10-0a4j-9100000000-7f23c15af02615b4211e
Source of Spectrum H-86-746-20
Wiley ID 1525383