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2-Chloromethyl-3H-7-p-tolylamino-4-oxo-9-phenylpyrimido[4',5':4,5]thieno[2,3-d]pyrimidine
SpectraBase Compound ID 2ilLvwO9rvk
InChI InChI=1S/C22H16ClN5OS/c1-12-7-9-14(10-8-12)24-22-27-17(13-5-3-2-4-6-13)16-18-19(30-21(16)28-22)20(29)26-15(11-23)25-18/h2-10H,11H2,1H3,(H,24,27,28)(H,25,26,29)
InChIKey CTELWILSORXBIS-UHFFFAOYSA-N
Mol Weight 433.92 g/mol
Molecular Formula C22H16ClN5OS
Exact Mass 433.076409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKFMHsWHSrL
Name 2-Chloromethyl-3H-7-p-tolylamino-4-oxo-9-phenylpyrimido[4',5':4,5]thieno[2,3-d]pyrimidine
Alternate Name(s) 2-(chloromethyl)-9-phenyl-7-(p-tolylamino)thieno[2,3-d:4,5-d']dipyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClN5OS
InChI InChI=1S/C22H16ClN5OS/c1-12-7-9-14(10-8-12)24-22-27-17(13-5-3-2-4-6-13)16-18-19(30-21(16)28-22)20(29)26-15(11-23)25-18/h2-10H,11H2,1H3,(H,24,27,28)(H,25,26,29)
InChIKey CTELWILSORXBIS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800292
Molecular Weight 433.917 g/mol
SMILES N(c1nc(c2c(sc3c2N=C(NC3=O)CCl)n1)-c1ccccc1)c1ccc(cc1)C
SPLASH splash10-05gl-4911100000-56e736b1e211b8bd80d1
Source of Spectrum QA-66-SM10-6
Wiley ID 1819626