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

Systemtic Name: 1-[(2-bromophenyl)methyl]-2-[(2-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one Openeye Name: 1-[(2-bromophenyl)methyl]-2-[(2-bromophenyl)methylsulfanyl]-5-(1-piperidylmethyl)pyrimidin-4-one CAS Name: 1-[(2-bromophenyl)methyl]-2-[(2-bromophenyl)methylthio]-5-(1-piperidinylmethyl)-4-pyrimidinone IUPAC Name: 1-[(2-bromophenyl)methyl]-2-[(2-bromophenyl)methylsulfanyl]-5-(piperidin-1-ylmethyl)pyrimidin-4-one Traditional Name: 1-(2-bromobenzyl)-2-[(2-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=C3Br)CC4=CC=CC=C4Br

Isomeric SMILES

C1CCN(CC1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3Br)CC4=CC=CC=C4Br

InChI

InChI=1S/C24H25Br2N3OS/c25-21-10-4-2-8-18(21)15-29-16-20(14-28-12-6-1-7-13-28)23(30)27-24(29)31-17-19-9-3-5-11-22(19)26/h2-5,8-11,16H,1,6-7,12-15,17H2