2-[8-(4-bromophenyl)-8-oxidanylidene-octyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(4-bromophenyl)-8-oxidanylidene-octyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-bromophenyl)-8-oxo-octyl]sulfanyl-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-bromophenyl)-8-oxooctyl]thio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-bromophenyl)-8-oxooctyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[8-(4-bromophenyl)-8-keto-octyl]thio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H26BrN3O2S MolecularWeight: 500.45114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H26BrN3O2S/c25-21-11-9-19(10-12-21)22(29)8-4-2-1-3-5-14-31-24-27-17-20(23(30)28-24)15-18-7-6-13-26-16-18/h6-7,9-13,16-17H,1-5,8,14-15H2,(H,27,28,30)