2-[(2-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(1-piperidylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[(2-bromophenyl)methylthio]-5-(1-piperidinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[(2-bromobenzyl)thio]-5-(piperidinomethyl)-1H-pyrimidin-6-one Formula: C17H20BrN3OS MolecularWeight: 394.3292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CN=C(NC2=O)SCC3=CC=CC=C3Br

Isomeric SMILES

C1CCN(CC1)CC2=CN=C(NC2=O)SCC3=CC=CC=C3Br

InChI

InChI=1S/C17H20BrN3OS/c18-15-7-3-2-6-13(15)12-23-17-19-10-14(16(22)20-17)11-21-8-4-1-5-9-21/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,19,20,22)