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2-({2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-({2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 7StSyQ0UVab
InChI InChI=1S/C29H27N5O2S3/c35-24(32-14-16-33(17-15-32)28-30-21-11-5-7-13-23(21)39-28)18-37-29-31-26-25(20-10-4-6-12-22(20)38-26)27(36)34(29)19-8-2-1-3-9-19/h1-3,5,7-9,11,13H,4,6,10,12,14-18H2
InChIKey DWIRPHGVDWUMSC-UHFFFAOYSA-N
Mol Weight 573.75 g/mol
Molecular Formula C29H27N5O2S3
Exact Mass 573.132689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwRUAXrNo5R
Name 2-({2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27N5O2S3
InChI InChI=1S/C29H27N5O2S3/c35-24(32-14-16-33(17-15-32)28-30-21-11-5-7-13-23(21)39-28)18-37-29-31-26-25(20-10-4-6-12-22(20)38-26)27(36)34(29)19-8-2-1-3-9-19/h1-3,5,7-9,11,13H,4,6,10,12,14-18H2
InChIKey DWIRPHGVDWUMSC-UHFFFAOYSA-N
Molecular Weight 573.748 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)SCC(N2CCN(c3nc4ccccc4s3)CC2)=O)sc2c1CCCC2
SPLASH splash10-0h00-3931000000-2c715ff86dcfb75c9bea
Synonyms 2-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]thio]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[[2-[4-(1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]thio]-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
Wiley ID 1436851