1-[(3-bromophenyl)methyl]-2-[(3-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-[(3-bromophenyl)methyl]-2-[(3-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one Openeye Name: 1-[(3-bromophenyl)methyl]-2-[(3-bromophenyl)methylsulfanyl]-5-(1-piperidylmethyl)pyrimidin-4-one CAS Name: 1-[(3-bromophenyl)methyl]-2-[(3-bromophenyl)methylthio]-5-(1-piperidinylmethyl)-4-pyrimidinone IUPAC Name: 1-[(3-bromophenyl)methyl]-2-[(3-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one Traditional Name: 1-(3-bromobenzyl)-2-[(3-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(=CC=C3)Br)CC4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

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