2-[2-(dipropylamino)ethylsulfanyl]-5-octyl-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 2-[2-(dipropylamino)ethylsulfanyl]-5-octyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-hydroxy-5-octyl-1-phenyl-pyrimidin-4-one CAS Name: 2-[2-(dipropylamino)ethylthio]-6-hydroxy-5-octyl-1-phenyl-4-pyrimidinone IUPAC Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-hydroxy-5-octyl-1-phenylpyrimidin-4-one Traditional Name: 2-[2-(dipropylamino)ethylthio]-6-hydroxy-5-octyl-1-phenyl-pyrimidin-4-one Formula: C26H41N3O2S MolecularWeight: 459.68764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N(C(=NC1=O)SCCN(CCC)CCC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCC1=C(N(C(=NC1=O)SCCN(CCC)CCC)C2=CC=CC=C2)O

InChI

InChI=1S/C26H41N3O2S/c1-4-7-8-9-10-14-17-23-24(30)27-26(32-21-20-28(18-5-2)19-6-3)29(25(23)31)22-15-12-11-13-16-22/h11-13,15-16,31H,4-10,14,17-21H2,1-3H3