2-(4-octylphenyl)sulfanyl-5-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(4-octylphenyl)sulfanyl-5-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-hydroxy-2-(4-octylphenyl)sulfanyl-1H-pyrimidin-6-one CAS Name: 5-hydroxy-2-[(4-octylphenyl)thio]-1H-pyrimidin-6-one IUPAC Name: 5-hydroxy-2-(4-octylphenyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 5-hydroxy-2-[(4-octylphenyl)thio]-1H-pyrimidin-6-one Formula: C18H24N2O2S MolecularWeight: 332.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)SC2=NC=C(C(=O)N2)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)SC2=NC=C(C(=O)N2)O

InChI

InChI=1S/C18H24N2O2S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23-18-19-13-16(21)17(22)20-18/h9-13,21H,2-8H2,1H3,(H,19,20,22)