2-[(3-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(1-piperidylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[(3-bromophenyl)methylthio]-5-(1-piperidinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[(3-bromobenzyl)thio]-5-(piperidinomethyl)-1H-pyrimidin-6-one Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CN=C(NC2=O)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(CC1)CC2=CN=C(NC2=O)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3OS/c18-15-6-4-5-13(9-15)12-23-17-19-10-14(16(22)20-17)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11-12H2,(H,19,20,22)