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2-[2-(9H-fluoren-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HqLWOvCsZS8
InChI InChI=1S/C31H24N2O2S2/c34-26(20-14-15-24-21(17-20)16-19-8-4-5-11-23(19)24)18-36-31-32-29-28(25-12-6-7-13-27(25)37-29)30(35)33(31)22-9-2-1-3-10-22/h1-5,8-11,14-15,17H,6-7,12-13,16,18H2
InChIKey PCAWPIGQRNWHCD-UHFFFAOYSA-N
Mol Weight 520.67 g/mol
Molecular Formula C31H24N2O2S2
Exact Mass 520.12792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKwG5LZP3yV
Name 2-[2-(9H-fluoren-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24N2O2S2
InChI InChI=1S/C31H24N2O2S2/c34-26(20-14-15-24-21(17-20)16-19-8-4-5-11-23(19)24)18-36-31-32-29-28(25-12-6-7-13-27(25)37-29)30(35)33(31)22-9-2-1-3-10-22/h1-5,8-11,14-15,17H,6-7,12-13,16,18H2
InChIKey PCAWPIGQRNWHCD-UHFFFAOYSA-N
Molecular Weight 520.665 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)SCC(c2cc3Cc4ccccc4-c3cc2)=O)sc2c1CCCC2
SPLASH splash10-0006-0910000000-310cc3779e0a47d49c81
Synonyms 2-[2-(9H-fluoren-2-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[[2-(9H-fluoren-2-yl)-2-keto-ethyl]thio]-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[[2-(9H-fluoren-2-yl)-2-oxoethyl]thio]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Wiley ID 1466524