2-[8-(4-ethanoylphenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(4-ethanoylphenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-acetylphenyl)octylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[8-(4-acetylphenyl)octylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-acetylphenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[8-(4-acetylphenyl)octylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CCCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CCCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C26H31N3O2S/c1-20(30)23-13-11-21(12-14-23)9-6-4-2-3-5-7-16-32-26-28-19-24(25(31)29-26)17-22-10-8-15-27-18-22/h8,10-15,18-19H,2-7,9,16-17H2,1H3,(H,28,29,31)