2-[7-(phenylsulfonyl)heptylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[7-(phenylsulfonyl)heptylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[7-(benzenesulfonyl)heptylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[7-(benzenesulfonyl)heptylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[7-(benzenesulfonyl)heptylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(7-besylheptylthio)-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C23H27N3O3S2/c27-22-20(16-19-10-9-13-24-17-19)18-25-23(26-22)30-14-7-2-1-3-8-15-31(28,29)21-11-5-4-6-12-21/h4-6,9-13,17-18H,1-3,7-8,14-16H2,(H,25,26,27)