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6-[2-(4-(pyrimidin-2-yl)piperazin-1-yl)-1,3,4-oxadiazol-5-yl]-[4-methyl-5-(1H-pyrrol-1-yl)]-2-phenylthieno[2,3-d]pyrimidine

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6-[2-(4-(pyrimidin-2-yl)piperazin-1-yl)-1,3,4-oxadiazol-5-yl]-[4-methyl-5-(1H-pyrrol-1-yl)]-2-phenylthieno[2,3-d]pyrimidine
SpectraBase Compound ID 2gQO2bRQbbs
InChI InChI=1S/C27H23N9OS/c1-18-20-21(34-12-5-6-13-34)22(38-25(20)31-23(30-18)19-8-3-2-4-9-19)24-32-33-27(37-24)36-16-14-35(15-17-36)26-28-10-7-11-29-26/h2-13H,14-17H2,1H3
InChIKey FDGNUHYAALDMRR-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C27H23N9OS
Exact Mass 521.174628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDg31W35vKJ
Name 6-[2-(4-(pyrimidin-2-yl)piperazin-1-yl)-1,3,4-oxadiazol-5-yl]-[4-methyl-5-(1H-pyrrol-1-yl)]-2-phenylthieno[2,3-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N9OS
InChI InChI=1S/C27H23N9OS/c1-18-20-21(34-12-5-6-13-34)22(38-25(20)31-23(30-18)19-8-3-2-4-9-19)24-32-33-27(37-24)36-16-14-35(15-17-36)26-28-10-7-11-29-26/h2-13H,14-17H2,1H3
InChIKey FDGNUHYAALDMRR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200900060
Molecular Weight 521.603 g/mol
SMILES c1(-c2ccccc2)nc2sc(-c3nnc(o3)N3CCN(CC3)c3ncccn3)c(-[n]3cccc3)c2c(n1)C
SPLASH splash10-02h9-0915020000-61dff00e8a380e447ffd
Source of Spectrum QA-56-415-13
Synonyms 2-(4-Methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-6-yl)-5-(4-(pyrimidin-2-yl)piperazin-1-yl)-1,3,4-oxadiazole
Wiley ID 1791195