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7-{4'-[4"-(5"'-Chloro-2"'-methoxybenzoyl)amino]phenyl}-2-(thienylmethylene)-3-oxo-5-(p-fluorophenyl)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine
SpectraBase Compound ID AaiAiGeJWap
InChI InChI=1S/C31H21ClFN3O3S2/c1-39-27-13-8-20(32)15-24(27)29(37)34-22-11-6-18(7-12-22)25-17-26(19-4-9-21(33)10-5-19)36-30(38)28(41-31(36)35-25)16-23-3-2-14-40-23/h2-17,26H,1H3,(H,34,37)/b28-16-
InChIKey NSCNIBCIWIRSBH-NTFVMDSBSA-N
Mol Weight 602.1 g/mol
Molecular Formula C31H21ClFN3O3S2
Exact Mass 601.06969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bz6ezUc7NnK
Name 7-{4'-[4"-(5"'-Chloro-2"'-methoxybenzoyl)amino]phenyl}-2-(thienylmethylene)-3-oxo-5-(p-fluorophenyl)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine
Alternate Name(s) 5-chloro-N-{4-[(2Z)-5-(4-fluorophenyl)-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]phenyl}-2-methoxybenzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H21ClFN3O3S2
InChI InChI=1S/C31H21ClFN3O3S2/c1-39-27-13-8-20(32)15-24(27)29(37)34-22-11-6-18(7-12-22)25-17-26(19-4-9-21(33)10-5-19)36-30(38)28(41-31(36)35-25)16-23-3-2-14-40-23/h2-17,26H,1H3,(H,34,37)/b28-16-
InChIKey NSCNIBCIWIRSBH-NTFVMDSBSA-N
Molecular Weight 602.098 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=CC(N3C(=N2)S\C(C3=O)=C\c2sccc2)c2ccc(cc2)F)cc1
SPLASH splash10-0udi-0000009000-ceb4b621c68c21e7cc7d
Source of Spectrum AH-138-1027-21
Wiley ID 1612479