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5'-(4-Chlorophenyl)-3',4'-dihydro-4'-oxo-1'H-spiro[cyclohexane-1,2'-thieno[2,3-d]pyrimidine]-6'-carboxamide
SpectraBase Compound ID 61oq1Px5CIW
InChI InChI=1S/C18H18ClN3O2S/c19-11-6-4-10(5-7-11)12-13-16(24)21-18(8-2-1-3-9-18)22-17(13)25-14(12)15(20)23/h4-7,22H,1-3,8-9H2,(H2,20,23)(H,21,24)
InChIKey PMKSKOSAFGQDPR-UHFFFAOYSA-N
Mol Weight 375.87 g/mol
Molecular Formula C18H18ClN3O2S
Exact Mass 375.080826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDK7b9JaciX
Name 5'-(4-Chlorophenyl)-3',4'-dihydro-4'-oxo-1'H-spiro[cyclohexane-1,2'-thieno[2,3-d]pyrimidine]-6'-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C18H18ClN3O2S
InChI InChI=1S/C18H18ClN3O2S/c19-11-6-4-10(5-7-11)12-13-16(24)21-18(8-2-1-3-9-18)22-17(13)25-14(12)15(20)23/h4-7,22H,1-3,8-9H2,(H2,20,23)(H,21,24)
InChIKey PMKSKOSAFGQDPR-UHFFFAOYSA-N
Molecular Weight 375.874 g/mol
SMILES NC(c1sc2c(C(NC3(CCCCC3)N2)=O)c1-c1ccc(cc1)Cl)=O
SPLASH splash10-004i-0009000000-fccc36f2278a917b2c7f
Source of Spectrum Y-49-368-10b
Wiley ID 1706559