1-[(4-bromophenyl)methyl]-2-[(4-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-[(4-bromophenyl)methyl]-2-[(4-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one Openeye Name: 1-[(4-bromophenyl)methyl]-2-[(4-bromophenyl)methylsulfanyl]-5-(1-piperidylmethyl)pyrimidin-4-one CAS Name: 1-[(4-bromophenyl)methyl]-2-[(4-bromophenyl)methylthio]-5-(1-piperidinylmethyl)-4-pyrimidinone IUPAC Name: 1-[(4-bromophenyl)methyl]-2-[(4-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one Traditional Name: 1-(4-bromobenzyl)-2-[(4-bromobenzyl)thio]-5-(piperidinomethyl)pyrimidin-4-one Formula: C24H25Br2N3OS MolecularWeight: 563.3478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25Br2N3OS/c25-21-8-4-18(5-9-21)14-29-16-20(15-28-12-2-1-3-13-28)23(30)27-24(29)31-17-19-6-10-22(26)11-7-19/h4-11,16H,1-3,12-15,17H2