5-(pyridin-3-ylmethyl)-2-(8-pyridin-4-yloctylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-(8-pyridin-4-yloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[8-(4-pyridyl)octylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-(8-pyridin-4-yloctylthio)-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-(8-pyridin-4-yloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[8-(4-pyridyl)octylthio]-1H-pyrimidin-6-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=NC=C3

InChI

InChI=1S/C23H28N4OS/c28-22-21(16-20-9-7-12-25-17-20)18-26-23(27-22)29-15-6-4-2-1-3-5-8-19-10-13-24-14-11-19/h7,9-14,17-18H,1-6,8,15-16H2,(H,26,27,28)