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

Systemtic Name: 2-(8-phenyloctylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-(8-phenyloctylsulfanyl)-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(8-phenyloctylthio)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-(8-phenyloctylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(8-phenyloctylthio)-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H29N3OS MolecularWeight: 407.57156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3OS/c28-23-22(18-21-13-15-25-16-14-21)19-26-24(27-23)29-17-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-16,19H,1-4,6,9-10,17-18H2,(H,26,27,28)