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

Systemtic Name: 5-(8-phenyloctylsulfanyl)-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-(8-phenyloctylsulfanyl)-2-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 5-(8-phenyloctylthio)-2-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-(8-phenyloctylsulfanyl)-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 5-(8-phenyloctylthio)-2-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCSC2=CN=C(NC2=O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCSC2=CN=C(NC2=O)CC3=CN=CC=C3

InChI

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