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N(12)-(4-Chlorophenyl)-2-methyl-6,7-dihydro-5H-benzo[3',4']cyclohepta[2',1':4,5]thieno[2,3-d]pyrimidin-12-amine
SpectraBase Compound ID DRIuKXtZLqa
InChI InChI=1S/C22H18ClN3S/c1-13-5-6-14-3-2-4-18-19(17(14)11-13)20-21(24-12-25-22(20)27-18)26-16-9-7-15(23)8-10-16/h5-12H,2-4H2,1H3,(H,24,25,26)
InChIKey CUAALXNCAALZLG-UHFFFAOYSA-N
Mol Weight 391.92 g/mol
Molecular Formula C22H18ClN3S
Exact Mass 391.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfPw3O7H8kk
Name N(12)-(4-Chlorophenyl)-2-methyl-6,7-dihydro-5H-benzo[3',4']cyclohepta[2',1':4,5]thieno[2,3-d]pyrimidin-12-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClN3S
InChI InChI=1S/C22H18ClN3S/c1-13-5-6-14-3-2-4-18-19(17(14)11-13)20-21(24-12-25-22(20)27-18)26-16-9-7-15(23)8-10-16/h5-12H,2-4H2,1H3,(H,24,25,26)
InChIKey CUAALXNCAALZLG-UHFFFAOYSA-N
Molecular Weight 391.920 g/mol
SMILES N(c1c2c-3c(sc2ncn1)CCCc1c3cc(cc1)C)c1ccc(cc1)Cl
SPLASH splash10-000x-8109000000-49c445bf3a9a39be3a79
Source of Spectrum CV-0-497-6
Wiley ID 849114