5-(pyridin-3-ylmethyl)-2-(8-pyridin-2-yloctylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-(8-pyridin-2-yloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[8-(2-pyridyl)octylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[8-(2-pyridinyl)octylthio]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-(8-pyridin-2-yloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[8-(2-pyridyl)octylthio]-1H-pyrimidin-6-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c28-22-20(16-19-10-9-13-24-17-19)18-26-23(27-22)29-15-8-4-2-1-3-5-11-21-12-6-7-14-25-21/h6-7,9-10,12-14,17-18H,1-5,8,11,15-16H2,(H,26,27,28)