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6-Phenyl-3-(cyclohexyl)-5-p-tolyl-2-(tosylimino)-2,3-dihydropyrimidin-4(1H)-one
SpectraBase Compound ID IPoHB0tIEzF
InChI InChI=1S/C30H31N3O3S/c1-21-13-17-23(18-14-21)27-28(24-9-5-3-6-10-24)31-30(33(29(27)34)25-11-7-4-8-12-25)32-37(35,36)26-19-15-22(2)16-20-26/h3,5-6,9-10,13-20,25H,4,7-8,11-12H2,1-2H3,(H,31,32)
InChIKey VAOBDDBMPLCTJV-UHFFFAOYSA-N
Mol Weight 513.66 g/mol
Molecular Formula C30H31N3O3S
Exact Mass 513.208613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79urZVBIpxV
Name 6-Phenyl-3-(cyclohexyl)-5-p-tolyl-2-(tosylimino)-2,3-dihydropyrimidin-4(1H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C30H31N3O3S
InChI InChI=1S/C30H31N3O3S/c1-21-13-17-23(18-14-21)27-28(24-9-5-3-6-10-24)31-30(33(29(27)34)25-11-7-4-8-12-25)32-37(35,36)26-19-15-22(2)16-20-26/h3,5-6,9-10,13-20,25H,4,7-8,11-12H2,1-2H3,(H,31,32)
InChIKey VAOBDDBMPLCTJV-UHFFFAOYSA-N
Molecular Weight 513.656 g/mol
SMILES N1\C(N(C(C(=C1c1ccccc1)c1ccc(cc1)C)=O)C1CCCCC1)=N/S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-0009040000-e09ae01f902c6523be70
Source of Spectrum KC-0-3076-11
Synonyms N-((2E)-3-cyclohexyl-5-(4-methylphenyl)-4-oxo-6-phenyl-3,4-dihydro-2(1H)-pyrimidinylidene)-4-methylbenzenesulfonamide
Wiley ID 826494